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

Systemtic Name: 1-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C32H41N5O3S MolecularWeight: 575.76464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C32H41N5O3S/c1-24-23-35(20-21-36(24)31(39)26-13-7-4-8-14-26)29(38)15-9-10-22-41-32-34-33-30(25-11-5-3-6-12-25)37(32)27-16-18-28(40-2)19-17-27/h3,5-6,11-12,16-19,24,26H,4,7-10,13-15,20-23H2,1-2H3