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

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=NNC(=O)N3C4CC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)SC3=NNC(=O)N3C4CC4

InChI

InChI=1S/C21H22N4O3S/c1-13-8-11-17(28-2)16(12-13)22-19(26)18(14-6-4-3-5-7-14)29-21-24-23-20(27)25(21)15-9-10-15/h3-8,11-12,15,18H,9-10H2,1-2H3,(H,22,26)(H,23,27)/t18-/m0/s1