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

Systemtic Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-15(26)18(13-16-9-5-3-6-10-16)22-19(27)14-28-21-24-23-20(25(21)2)17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,27)/t18-/m0/s1