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

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c1-14-9-10-18(28-3)17(13-14)22-19(26)15(2)29-21-24-23-20(27)25(21)12-11-16-7-5-4-6-8-16/h4-10,13,15H,11-12H2,1-3H3,(H,22,26)(H,23,27)/t15-/m0/s1