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

Systemtic Name: 2-sulfanylidene-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide Openeye Name: 2-thioxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]-1H-pyridine-3-carboxamide CAS Name: 2-sulfanylidene-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide IUPAC Name: 2-sulfanylidene-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide Traditional Name: 2-thioxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]-1H-pyridine-3-carboxamide Formula: C14H12N6OS MolecularWeight: 312.34968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N2C=NC=N2)CNC(=O)C3=CC=CNC3=S

Isomeric SMILES

C1=CC(=C(N=C1)N2C=NC=N2)CNC(=O)C3=CC=CNC3=S

InChI

InChI=1S/C14H12N6OS/c21-13(11-4-2-6-17-14(11)22)18-7-10-3-1-5-16-12(10)20-9-15-8-19-20/h1-6,8-9H,7H2,(H,17,22)(H,18,21)