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

Systemtic Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-(phenylmethyl)indol-3-yl]sulfanyl-ethanone Openeye Name: 2-(1-benzylindol-3-yl)sulfanyl-1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[[1-(phenylmethyl)-3-indolyl]thio]ethanone IUPAC Name: 2-(1-benzylindol-3-yl)sulfanyl-1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[(1-benzylindol-3-yl)thio]-1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C33H28BrN3O2S MolecularWeight: 610.56332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C6=CC=C(C=C6)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C6=CC=C(C=C6)Br

InChI

InChI=1S/C33H28BrN3O2S/c1-39-27-17-13-25(14-18-27)31-19-29(24-11-15-26(34)16-12-24)35-37(31)33(38)22-40-32-21-36(20-23-7-3-2-4-8-23)30-10-6-5-9-28(30)32/h2-18,21,31H,19-20,22H2,1H3