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

Systemtic Name: 1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-(1-ethylindol-3-yl)sulfanyl-ethanone Openeye Name: 1-[3-(2,3-dimethoxyphenyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]-2-(1-ethylindol-3-yl)sulfanyl-ethanone CAS Name: 1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-[(1-ethyl-3-indolyl)thio]ethanone IUPAC Name: 1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-(1-ethylindol-3-yl)sulfanylethanone Traditional Name: 1-[5-(2,3-dimethoxyphenyl)-3-(2-thienyl)-3-pyrazolin-1-yl]-2-[(1-ethylindol-3-yl)thio]ethanone Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)SCC(=O)N3C(C=C(N3)C4=CC=CS4)C5=C(C(=CC=C5)OC)OC

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)SCC(=O)N3C(C=C(N3)C4=CC=CS4)C5=C(C(=CC=C5)OC)OC

InChI

InChI=1S/C27H27N3O3S2/c1-4-29-16-25(18-9-5-6-11-21(18)29)35-17-26(31)30-22(15-20(28-30)24-13-8-14-34-24)19-10-7-12-23(32-2)27(19)33-3/h5-16,22,28H,4,17H2,1-3H3