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L13 : Summary
Code ![](/pdbe/static/images/help.png)
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L13
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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4-AMINO-5-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C9 H10 N4 S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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206.267 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
S=C1N(N)C(=NN1)c2c(cccc2)C |
SMILES
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CACTVS |
3.341 |
Cc1ccccc1C2=NNC(=S)N2N |
SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1ccccc1C2=NNC(=S)N2N |
Canonical SMILES
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CACTVS |
3.341 |
Cc1ccccc1C2=NNC(=S)N2N |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1ccccc1C2=NNC(=S)N2N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H10N4S/c1-6-4-2-3-5-7(6)8-11-12-9(14)13(8)10/h2-5H,10H2,1H3,(H,12,14) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CUEYNOAJNUCBAP-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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24 (14 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2006-06-15
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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