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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-16(2)23-20(27)10-7-15-28-22-25-24-21(18-8-5-4-6-9-18)26(22)19-13-11-17(3)12-14-19/h4-6,8-9,11-14,16H,7,10,15H2,1-3H3,(H,23,27)