35J
N-(pyridin-3-ylmethyl)thioformamide
Created: | 2014-06-19 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 18 |
Chiral Atom Count | 0 |
Bond Count | 18 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | N-(pyridin-3-ylmethyl)thioformamide |
Systematic Name (OpenEye OEToolkits) | N-(pyridin-3-ylmethyl)methanethioamide |
Formula | C7 H8 N2 S |
Molecular Weight | 152.217 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | S=CNCc1cccnc1 |
SMILES | CACTVS | 3.385 | S=CNCc1cccnc1 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)CNC=S |
Canonical SMILES | CACTVS | 3.385 | S=CNCc1cccnc1 |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)CNC=S |
InChI | InChI | 1.03 | InChI=1S/C7H8N2S/c10-6-9-5-7-2-1-3-8-4-7/h1-4,6H,5H2,(H,9,10) |
InChIKey | InChI | 1.03 | HIZAQBZIUYYGKR-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 58279648 |