2-cyclohexylsulfanyl-1-[3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-cyclohexylsulfanyl-1-[3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-cyclohexylsulfanyl-1-[3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(cyclohexylthio)-1-[3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-cyclohexylsulfanyl-1-[3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(cyclohexylthio)-1-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(C(=CC=C3)OC)OC)C(=O)CSC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(C(=CC=C3)OC)OC)C(=O)CSC4CCCCC4

InChI

InChI=1S/C26H32N2O4S/c1-30-19-14-12-18(13-15-19)22-16-23(21-10-7-11-24(31-2)26(21)32-3)28(27-22)25(29)17-33-20-8-5-4-6-9-20/h7,10-15,20,23H,4-6,8-9,16-17H2,1-3H3