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

Systemtic Name: 1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-ethanone Openeye Name: 1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-ethanone CAS Name: 1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]thio]ethanone IUPAC Name: 1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanone Traditional Name: 1-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-2-pyrazolin-1-yl]-2-[[1-(2,5-dimethylbenzyl)indol-3-yl]thio]ethanone Formula: C36H34BrN3O3S MolecularWeight: 668.64246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)N4C(CC(=N4)C5=CC=C(C=C5)Br)C6=C(C(=CC=C6)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)N4C(CC(=N4)C5=CC=C(C=C5)Br)C6=C(C(=CC=C6)OC)OC

InChI

InChI=1S/C36H34BrN3O3S/c1-23-12-13-24(2)26(18-23)20-39-21-34(28-8-5-6-10-31(28)39)44-22-35(41)40-32(29-9-7-11-33(42-3)36(29)43-4)19-30(38-40)25-14-16-27(37)17-15-25/h5-18,21,32H,19-20,22H2,1-4H3