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

Systemtic Name: 1-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]pentan-1-one Traditional Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]pentan-1-one Formula: C32H41N5O2S MolecularWeight: 559.76524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C32H41N5O2S/c1-25-24-35(20-21-36(25)31(39)27-15-7-3-8-16-27)30(38)19-11-12-22-40-32-34-33-29(23-26-13-5-2-6-14-26)37(32)28-17-9-4-10-18-28/h2,4-6,9-10,13-14,17-18,25,27H,3,7-8,11-12,15-16,19-24H2,1H3