1-[4-(4-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]-5-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one

Systemtic Name: 1-[4-(4-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]-5-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 5-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-fluorobenzoyl)-3-methyl-piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[(4-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-5-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 5-[[5-benzyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-fluorobenzoyl)-3-methylpiperazin-1-yl]pentan-1-one Traditional Name: 5-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-[4-(4-fluorobenzoyl)-3-methyl-piperazino]pentan-1-one Formula: C33H36FN5O2S MolecularWeight: 585.734643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)F)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4C)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)F)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4C)CC5=CC=CC=C5

InChI

InChI=1S/C33H36FN5O2S/c1-24-10-6-7-13-29(24)39-30(22-26-11-4-3-5-12-26)35-36-33(39)42-21-9-8-14-31(40)37-19-20-38(25(2)23-37)32(41)27-15-17-28(34)18-16-27/h3-7,10-13,15-18,25H,8-9,14,19-23H2,1-2H3