5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)pentan-1-one

Systemtic Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)pentan-1-one Openeye Name: 1-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one Traditional Name: 1-[3-methyl-4-(2-thenoyl)piperazino]-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C30H33N5O2S2 MolecularWeight: 559.74532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CS2)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CS2)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C30H33N5O2S2/c1-22-13-15-25(16-14-22)35-28(24-9-4-3-5-10-24)31-32-30(35)39-19-7-6-12-27(36)33-17-18-34(23(2)21-33)29(37)26-11-8-20-38-26/h3-5,8-11,13-16,20,23H,6-7,12,17-19,21H2,1-2H3