1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(benzylthio)-1-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C26H25BrN2O3S MolecularWeight: 525.4573

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CSCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CSCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H25BrN2O3S/c1-31-24-10-6-9-21(26(24)32-2)23-15-22(19-11-13-20(27)14-12-19)28-29(23)25(30)17-33-16-18-7-4-3-5-8-18/h3-14,23H,15-17H2,1-2H3