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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[1-(phenylmethyl)indol-3-yl]sulfanyl-ethanone Openeye Name: 2-(1-benzylindol-3-yl)sulfanyl-1-[3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[1-(phenylmethyl)-3-indolyl]thio]ethanone IUPAC Name: 2-(1-benzylindol-3-yl)sulfanyl-1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[(1-benzylindol-3-yl)thio]-1-[5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C31H27N3O2S2 MolecularWeight: 537.69498

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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=CS6

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C31H27N3O2S2/c1-36-24-15-13-23(14-16-24)28-18-26(29-12-7-17-37-29)32-34(28)31(35)21-38-30-20-33(19-22-8-3-2-4-9-22)27-11-6-5-10-25(27)30/h2-17,20,28H,18-19,21H2,1H3