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

Systemtic Name: 1-[3-methyl-4-(2-methylpropanoyl)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-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]pentan-1-one CAS Name: 1-[3-methyl-4-(2-methyl-1-oxopropyl)-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-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]pentan-1-one Traditional Name: 5-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-(4-isobutyryl-3-methyl-piperazino)pentan-1-one Formula: C30H39N5O2S MolecularWeight: 533.72796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)C)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3C)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)C)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3C)CC4=CC=CC=C4

InChI

InChI=1S/C30H39N5O2S/c1-22(2)29(37)34-18-17-33(21-24(34)4)28(36)16-10-11-19-38-30-32-31-27(20-25-13-6-5-7-14-25)35(30)26-15-9-8-12-23(26)3/h5-9,12-15,22,24H,10-11,16-21H2,1-4H3