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

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)butanamide Openeye Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)butanamide CAS Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)butanamide IUPAC Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)butanamide Traditional Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)butyramide Formula: C27H28N4O2S MolecularWeight: 472.60182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCCSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CCCSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2S/c1-20(21-10-5-3-6-11-21)28-25(32)14-9-19-34-27-30-29-26(22-12-7-4-8-13-22)31(27)23-15-17-24(33-2)18-16-23/h3-8,10-13,15-18,20H,9,14,19H2,1-2H3,(H,28,32)