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

Systemtic Name: 2-sulfanylidene-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridine-3-carboxamide Openeye Name: 2-thioxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridine-3-carboxamide CAS Name: N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide IUPAC Name: 2-sulfanylidene-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridine-3-carboxamide Traditional Name: 2-thioxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridine-3-carboxamide Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CNC2=S)N3C=NC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CNC2=S)N3C=NC=N3

InChI

InChI=1S/C17H16N6O2S/c1-11(23-10-18-9-20-23)15(24)21-12-4-6-13(7-5-12)22-16(25)14-3-2-8-19-17(14)26/h2-11H,1H3,(H,19,26)(H,21,24)(H,22,25)