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9DY : Summary
Code ![](/pdbe/static/images/help.png)
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9DY
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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-(1,2,3-thiadiazol-4-yl)pyridine
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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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C7 H5 N3 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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163.2 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 |
12.01 |
c1(csnn1)c2ccncc2 |
SMILES
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CACTVS |
3.385 |
s1cc(nn1)c2ccncc2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cnccc1c2csnn2 |
Canonical SMILES
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CACTVS |
3.385 |
s1cc(nn1)c2ccncc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cnccc1c2csnn2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H5N3S/c1-3-8-4-2-6(1)7-5-11-10-9-7/h1-5H |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CBBNSZNUEUONCU-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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16 (11 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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2017-04-21
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Last modified at ![](/pdbe/static/images/help.png)
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2021-07-30
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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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