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

Systemtic Name: 1-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-[4-(cyclopentanecarbonyl)-3-methyl-piperazin-1-yl]-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-[4-[cyclopentyl(oxo)methyl]-3-methyl-1-piperazinyl]-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-[4-(cyclopentanecarbonyl)-3-methyl-piperazino]-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C31H39N5O2S MolecularWeight: 545.73866

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCC2)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCC2)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C31H39N5O2S/c1-23-15-17-27(18-16-23)36-29(25-10-4-3-5-11-25)32-33-31(36)39-21-9-8-14-28(37)34-19-20-35(24(2)22-34)30(38)26-12-6-7-13-26/h3-5,10-11,15-18,24,26H,6-9,12-14,19-22H2,1-2H3