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

Systemtic Name: (2S)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethanoylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(3-acetylphenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: (2S)-N-(3-acetylphenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(3-acetylphenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: (2S)-N-(3-acetylphenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C)C4CC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NN=C(N3C)C4CC4

InChI

InChI=1S/C22H22N4O2S/c1-14(27)17-9-6-10-18(13-17)23-21(28)19(15-7-4-3-5-8-15)29-22-25-24-20(26(22)2)16-11-12-16/h3-10,13,16,19H,11-12H2,1-2H3,(H,23,28)/t19-/m0/s1