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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=NNC(=O)N3C4CC4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)SC3=NNC(=O)N3C4CC4

InChI

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