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

Systemtic Name: 1-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)-4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]-4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]-4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C31H39N5O3S MolecularWeight: 561.73806

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4OC)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4OC)C5=CC=CC=C5

InChI

InChI=1S/C31H39N5O3S/c1-23-22-34(19-20-35(23)30(38)25-14-7-4-8-15-25)28(37)18-11-21-40-31-33-32-29(24-12-5-3-6-13-24)36(31)26-16-9-10-17-27(26)39-2/h3,5-6,9-10,12-13,16-17,23,25H,4,7-8,11,14-15,18-22H2,1-2H3