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

Systemtic Name: 1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-propylindol-3-yl)sulfanyl-ethanone Openeye Name: 1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-propylindol-3-yl)sulfanyl-ethanone CAS Name: 1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(1-propyl-3-indolyl)thio]ethanone IUPAC Name: 1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-propylindol-3-yl)sulfanylethanone Traditional Name: 1-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-2-pyrazolin-1-yl]-2-[(1-propylindol-3-yl)thio]ethanone Formula: C30H30BrN3O3S MolecularWeight: 592.5465

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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=C(C(=CC=C5)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H30BrN3O3S/c1-4-16-33-18-28(22-8-5-6-10-25(22)33)38-19-29(35)34-26(23-9-7-11-27(36-2)30(23)37-3)17-24(32-34)20-12-14-21(31)15-13-20/h5-15,18,26H,4,16-17,19H2,1-3H3