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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(p-tolylsulfanyl)ethanone CAS Name: 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[(4-methylphenyl)thio]ethanone IUPAC Name: 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-methylphenyl)sulfanylethanone Traditional Name: 1-[5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-(p-tolylthio)ethanone Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H22N2O2S2/c1-16-5-11-19(12-6-16)29-15-23(26)25-21(17-7-9-18(27-2)10-8-17)14-20(24-25)22-4-3-13-28-22/h3-13,21H,14-15H2,1-2H3