(2S)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethanoylphenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethanoylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: (2S)-N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: (2S)-N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NNC(=O)N3C4CC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NNC(=O)N3C4CC4

InChI

InChI=1S/C21H20N4O3S/c1-13(26)15-8-5-9-16(12-15)22-19(27)18(14-6-3-2-4-7-14)29-21-24-23-20(28)25(21)17-10-11-17/h2-9,12,17-18H,10-11H2,1H3,(H,22,27)(H,23,28)/t18-/m0/s1