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

Systemtic Name: (2R)-2-[[5-(3-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide Openeye Name: (2R)-2-[[4-isopropyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide CAS Name: (2R)-2-[[5-(3-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-N-phenylbutanamide IUPAC Name: (2R)-2-[[5-(3-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylbutanamide Traditional Name: (2R)-2-[[4-isopropyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-5-19(21(27)23-18-12-7-6-8-13-18)28-22-25-24-20(26(22)15(2)3)17-11-9-10-16(4)14-17/h6-15,19H,5H2,1-4H3,(H,23,27)/t19-/m1/s1