2-cyclohexylsulfanyl-1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-cyclohexylsulfanyl-1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-cyclohexylsulfanyl-1-[3-(4-fluorophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(cyclohexylthio)-1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-cyclohexylsulfanyl-1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(cyclohexylthio)-1-[5-(4-fluorophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C21H23FN2OS2 MolecularWeight: 402.548523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN2OS2/c22-16-10-8-15(9-11-16)19-13-18(20-7-4-12-26-20)23-24(19)21(25)14-27-17-5-2-1-3-6-17/h4,7-12,17,19H,1-3,5-6,13-14H2