1-(4-cyclopropylcarbonyl-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-cyclopropylcarbonyl-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-(cyclopropanecarbonyl)-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-[cyclopropyl(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-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-[4-(cyclopropanecarbonyl)-3-methyl-piperazino]-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C29H35N5O2S MolecularWeight: 517.6855

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C29H35N5O2S/c1-21-11-15-25(16-12-21)34-27(23-8-4-3-5-9-23)30-31-29(34)37-19-7-6-10-26(35)32-17-18-33(22(2)20-32)28(36)24-13-14-24/h3-5,8-9,11-12,15-16,22,24H,6-7,10,13-14,17-20H2,1-2H3