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

Systemtic Name: 1-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)-4-[[4-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-[4-(cyclopentanecarbonyl)-3-methyl-piperazin-1-yl]-4-[[4-(o-tolyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[4-[cyclopentyl(oxo)methyl]-3-methyl-1-piperazinyl]-4-[[4-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-4-[[4-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-[4-(cyclopentanecarbonyl)-3-methyl-piperazino]-4-[[4-(o-tolyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C30H37N5O2S MolecularWeight: 531.71208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCC2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4C)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCC2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4C)C5=CC=CC=C5

InChI

InChI=1S/C30H37N5O2S/c1-22-11-6-9-16-26(22)35-28(24-12-4-3-5-13-24)31-32-30(35)38-20-10-17-27(36)33-18-19-34(23(2)21-33)29(37)25-14-7-8-15-25/h3-6,9,11-13,16,23,25H,7-8,10,14-15,17-21H2,1-2H3