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SN4 : Summary
Code ![](/pdbe/static/images/help.png)
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SN4
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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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6-methoxypyridine-3-carbothioamide
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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 H8 N2 O 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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168.216 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
COc1ccc(cn1)C(N)=S |
SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1ccc(cn1)C(=S)N |
Canonical SMILES
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CACTVS |
3.385 |
COc1ccc(cn1)C(N)=S |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1ccc(cn1)C(=S)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H8N2OS/c1-10-6-3-2-5(4-9-6)7(8)11/h2-4H,1H3,(H2,8,11) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | YAKXWVMVPOHRGZ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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19 (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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2020-03-11
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-17
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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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