1-[4-(3,5-dimethoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]-4-[[4-(2-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one

Systemtic Name: 1-[4-(3,5-dimethoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]-4-[[4-(2-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-[4-(3,5-dimethoxybenzoyl)-3-methyl-piperazin-1-yl]-4-[[4-(o-tolyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[4-[(3,5-dimethoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-4-[[4-(2-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-[4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-1-yl]-4-[[4-(2-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-[4-(3,5-dimethoxybenzoyl)-3-methyl-piperazino]-4-[[4-(o-tolyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C34H39N5O4S MolecularWeight: 613.76956

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC(=C2)OC)OC)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4C)C5=CC=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC(=C2)OC)OC)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4C)C5=CC=C(C=C5)C

InChI

InChI=1S/C34H39N5O4S/c1-23-12-14-26(15-13-23)32-35-36-34(39(32)30-10-7-6-9-24(30)2)44-18-8-11-31(40)37-16-17-38(25(3)22-37)33(41)27-19-28(42-4)21-29(20-27)43-5/h6-7,9-10,12-15,19-21,25H,8,11,16-18,22H2,1-5H3