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

Systemtic Name: 1-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C29H35N5O3S MolecularWeight: 533.6849

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)OC

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C29H35N5O3S/c1-21-19-32(16-17-33(21)28(36)22-10-5-3-6-11-22)26(35)20-38-29-31-30-27(23-12-9-15-25(18-23)37-2)34(29)24-13-7-4-8-14-24/h4,7-9,12-15,18,21-22H,3,5-6,10-11,16-17,19-20H2,1-2H3