1-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-ethylindol-3-yl)sulfanyl-ethanone

Systemtic Name: 1-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-ethylindol-3-yl)sulfanyl-ethanone Openeye Name: 1-[5-(4-bromophenyl)-3-(p-tolyl)-3,4-dihydropyrazol-2-yl]-2-(1-ethylindol-3-yl)sulfanyl-ethanone CAS Name: 1-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(1-ethyl-3-indolyl)thio]ethanone IUPAC Name: 1-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-ethylindol-3-yl)sulfanylethanone Traditional Name: 1-[3-(4-bromophenyl)-5-(p-tolyl)-2-pyrazolin-1-yl]-2-[(1-ethylindol-3-yl)thio]ethanone Formula: C28H26BrN3OS MolecularWeight: 532.49454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)SCC(=O)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)SCC(=O)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H26BrN3OS/c1-3-31-17-27(23-6-4-5-7-25(23)31)34-18-28(33)32-26(21-10-8-19(2)9-11-21)16-24(30-32)20-12-14-22(29)15-13-20/h4-15,17,26H,3,16,18H2,1-2H3