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

Systemtic Name: 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-(phenylmethyl)indol-3-yl]sulfanyl-ethanone Openeye Name: 2-(1-benzylindol-3-yl)sulfanyl-1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[[1-(phenylmethyl)-3-indolyl]thio]ethanone IUPAC Name: 2-(1-benzylindol-3-yl)sulfanyl-1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[(1-benzylindol-3-yl)thio]-1-[3,5-bis(4-methoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C34H31N3O3S MolecularWeight: 561.69324

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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)OC

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)OC

InChI

InChI=1S/C34H31N3O3S/c1-39-27-16-12-25(13-17-27)30-20-32(26-14-18-28(40-2)19-15-26)37(35-30)34(38)23-41-33-22-36(21-24-8-4-3-5-9-24)31-11-7-6-10-29(31)33/h3-19,22,32H,20-21,23H2,1-2H3