2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide

Systemtic Name: 2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide Openeye Name: 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide CAS Name: N-[anilino(oxo)methyl]-2-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide Traditional Name: 2-[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(phenylcarbamoyl)propionamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C19H19N5O3S/c1-13(16(25)21-17(26)20-15-10-6-3-7-11-15)28-19-23-22-18(27)24(19)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,22,27)(H2,20,21,25,26)