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

Systemtic Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-propylindol-3-yl)sulfanyl-ethanone Openeye Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-propylindol-3-yl)sulfanyl-ethanone CAS Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(1-propyl-3-indolyl)thio]ethanone IUPAC Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-propylindol-3-yl)sulfanylethanone Traditional Name: 1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-[(1-propylindol-3-yl)thio]ethanone Formula: C29H28BrN3O2S MolecularWeight: 562.52052

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)SCC(=O)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)OC

Isomeric SMILES

CCCN1C=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/C29H28BrN3O2S/c1-3-16-32-18-28(24-6-4-5-7-26(24)32)36-19-29(34)33-27(21-10-14-23(35-2)15-11-21)17-25(31-33)20-8-12-22(30)13-9-20/h4-15,18,27H,3,16-17,19H2,1-2H3