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

Systemtic Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanyl-ethanone Openeye Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanyl-ethanone CAS Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(1-methyl-3-indolyl)thio]ethanone IUPAC Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanylethanone Traditional Name: 1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-[(1-methylindol-3-yl)thio]ethanone Formula: C27H24BrN3O2S MolecularWeight: 534.46736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)SCC(=O)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)SCC(=O)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H24BrN3O2S/c1-30-16-26(22-5-3-4-6-24(22)30)34-17-27(32)31-25(19-9-13-21(33-2)14-10-19)15-23(29-31)18-7-11-20(28)12-8-18/h3-14,16,25H,15,17H2,1-2H3