N-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[1-[5-(m-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-(2-thienyl)acetamide CAS Name: N-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]-2-thiophen-2-ylacetamide Traditional Name: N-[1-[5-[(3-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-(2-thienyl)acetamide Formula: C31H30N4OS2 MolecularWeight: 538.7261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)C(CC4=CC=CC=C4)NC(=O)CC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)C(CC4=CC=CC=C4)NC(=O)CC5=CC=CS5

InChI

InChI=1S/C31H30N4OS2/c1-22-13-15-26(16-14-22)35-30(33-34-31(35)38-21-25-11-6-8-23(2)18-25)28(19-24-9-4-3-5-10-24)32-29(36)20-27-12-7-17-37-27/h3-18,28H,19-21H2,1-2H3,(H,32,36)