2-sulfanylidene-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

Systemtic Name: 2-sulfanylidene-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide Openeye Name: 2-thioxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide CAS Name: 2-sulfanylidene-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide IUPAC Name: 2-sulfanylidene-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide Traditional Name: 2-thioxo-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]-1H-pyridine-3-carboxamide Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=CC=CNC2=S)CN3C=NC=N3

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=CC=CNC2=S)CN3C=NC=N3

InChI

InChI=1S/C16H15N5OS/c22-15(14-6-3-7-18-16(14)23)19-8-12-4-1-2-5-13(12)9-21-11-17-10-20-21/h1-7,10-11H,8-9H2,(H,18,23)(H,19,22)