1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-cyclohexylsulfanyl-ethanone

Systemtic Name: 1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-cyclohexylsulfanyl-ethanone Openeye Name: 1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-cyclohexylsulfanyl-ethanone CAS Name: 1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(cyclohexylthio)ethanone IUPAC Name: 1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-cyclohexylsulfanylethanone Traditional Name: 1-[(5R)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-(cyclohexylthio)ethanone Formula: C24H27BrN2O2S MolecularWeight: 487.45238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3CCCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CSC3CCCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H27BrN2O2S/c1-29-20-13-9-18(10-14-20)23-15-22(17-7-11-19(25)12-8-17)26-27(23)24(28)16-30-21-5-3-2-4-6-21/h7-14,21,23H,2-6,15-16H2,1H3/t23-/m1/s1