1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone Openeye Name: 1-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone CAS Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[(2-phenyl-1H-indol-3-yl)thio]ethanone IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone Traditional Name: 1-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-[(2-phenyl-1H-indol-3-yl)thio]ethanone Formula: C31H27N3O3S2 MolecularWeight: 553.69438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CSC3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C6=CC=CS6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CSC3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C6=CC=CS6)OC

InChI

InChI=1S/C31H27N3O3S2/c1-36-26-15-14-21(17-27(26)37-2)25-18-24(28-13-8-16-38-28)33-34(25)29(35)19-39-31-22-11-6-7-12-23(22)32-30(31)20-9-4-3-5-10-20/h3-17,25,32H,18-19H2,1-2H3