1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanyl-ethanone

Systemtic Name: 1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanyl-ethanone Openeye Name: 1-[3-(2,3-dimethoxyphenyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanyl-ethanone CAS Name: 1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-[(1-methyl-3-indolyl)thio]ethanone IUPAC Name: 1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanylethanone Traditional Name: 1-[5-(2,3-dimethoxyphenyl)-3-(2-thienyl)-3-pyrazolin-1-yl]-2-[(1-methylindol-3-yl)thio]ethanone Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)SCC(=O)N3C(C=C(N3)C4=CC=CS4)C5=C(C(=CC=C5)OC)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)SCC(=O)N3C(C=C(N3)C4=CC=CS4)C5=C(C(=CC=C5)OC)OC

InChI

InChI=1S/C26H25N3O3S2/c1-28-15-24(17-8-4-5-10-20(17)28)34-16-25(30)29-21(14-19(27-29)23-12-7-13-33-23)18-9-6-11-22(31-2)26(18)32-3/h4-15,21,27H,16H2,1-3H3