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

Systemtic Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-ethylindol-3-yl)sulfanyl-ethanone Openeye Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-ethylindol-3-yl)sulfanyl-ethanone CAS Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(1-ethyl-3-indolyl)thio]ethanone IUPAC Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-ethylindol-3-yl)sulfanylethanone Traditional Name: 1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-[(1-ethylindol-3-yl)thio]ethanone Formula: C28H26BrN3O2S MolecularWeight: 548.49394

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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)OC

Isomeric SMILES

CCN1C=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/C28H26BrN3O2S/c1-3-31-17-27(23-6-4-5-7-25(23)31)35-18-28(33)32-26(20-10-14-22(34-2)15-11-20)16-24(30-32)19-8-12-21(29)13-9-19/h4-15,17,26H,3,16,18H2,1-2H3