3-[4-(2-methylpropyl)-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-(2-methylpropyl)-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-methylpropyl)-5-[(4-phenylphenyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(2-methylpropyl)-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-5-[(4-phenylbenzyl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3)CCC(=O)N

InChI

InChI=1S/C22H26N4OS/c1-16(2)14-26-21(13-12-20(23)27)24-25-22(26)28-15-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H2,23,27)