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

Systemtic Name: (2S)-N-cyclopropyl-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide Openeye Name: (2S)-N-cyclopropyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: (2S)-N-cyclopropyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-cyclopropyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: (2S)-N-cyclopropyl-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)[C@H](C2=CC=CC=C2)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c26-19(22-17-11-12-17)18(16-9-5-2-6-10-16)28-21-24-23-20(27)25(21)14-13-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,22,26)(H,23,27)/t18-/m0/s1