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

Systemtic Name: 2-cyclohexylsulfanyl-1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-cyclohexylsulfanyl-1-[3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(cyclohexylthio)-1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-cyclohexylsulfanyl-1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(cyclohexylthio)-1-[5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3CCCCC3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3CCCCC3)C4=CC=CS4

InChI

InChI=1S/C22H26N2O2S2/c1-26-17-11-9-16(10-12-17)20-14-19(21-8-5-13-27-21)23-24(20)22(25)15-28-18-6-3-2-4-7-18/h5,8-13,18,20H,2-4,6-7,14-15H2,1H3