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

Systemtic Name: 1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-(1-propylindol-3-yl)sulfanyl-ethanone Openeye Name: 1-[3-(2,3-dimethoxyphenyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]-2-(1-propylindol-3-yl)sulfanyl-ethanone CAS Name: 1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-[(1-propyl-3-indolyl)thio]ethanone IUPAC Name: 1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-(1-propylindol-3-yl)sulfanylethanone Traditional Name: 1-[5-(2,3-dimethoxyphenyl)-3-(2-thienyl)-3-pyrazolin-1-yl]-2-[(1-propylindol-3-yl)thio]ethanone Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)SCC(=O)N3C(C=C(N3)C4=CC=CS4)C5=C(C(=CC=C5)OC)OC

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)SCC(=O)N3C(C=C(N3)C4=CC=CS4)C5=C(C(=CC=C5)OC)OC

InChI

InChI=1S/C28H29N3O3S2/c1-4-14-30-17-26(19-9-5-6-11-22(19)30)36-18-27(32)31-23(16-21(29-31)25-13-8-15-35-25)20-10-7-12-24(33-2)28(20)34-3/h5-13,15-17,23,29H,4,14,18H2,1-3H3