N-[(phenylmethyl)carbamoyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(phenylmethyl)carbamoyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(benzylcarbamoyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C17H16N6O2S/c24-14(20-16(25)19-10-12-4-2-1-3-5-12)11-26-17-21-15(22-23-17)13-6-8-18-9-7-13/h1-9H,10-11H2,(H,21,22,23)(H2,19,20,24,25)