(2R)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide

Systemtic Name: (2R)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide Openeye Name: (2R)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide CAS Name: (2R)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylbutanamide IUPAC Name: (2R)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylbutanamide Traditional Name: (2R)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=C(C=C3)C

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H22N4OS/c1-4-17(19(25)21-16-8-6-5-7-9-16)26-20-23-22-18(24(20)3)15-12-10-14(2)11-13-15/h5-13,17H,4H2,1-3H3,(H,21,25)/t17-/m1/s1