1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1H-indol-3-ylsulfanyl)ethanone

Systemtic Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1H-indol-3-ylsulfanyl)ethanone Openeye Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1H-indol-3-ylsulfanyl)ethanone CAS Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1H-indol-3-ylthio)ethanone IUPAC Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1H-indol-3-ylsulfanyl)ethanone Traditional Name: 1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-(1H-indol-3-ylthio)ethanone Formula: C26H22BrN3O2S MolecularWeight: 520.44078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=CNC4=CC=CC=C43)C5=CC=C(C=C5)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=CNC4=CC=CC=C43)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H22BrN3O2S/c1-32-20-12-8-18(9-13-20)24-14-23(17-6-10-19(27)11-7-17)29-30(24)26(31)16-33-25-15-28-22-5-3-2-4-21(22)25/h2-13,15,24,28H,14,16H2,1H3