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

Systemtic Name: 2-cyclohexylsulfanyl-1-[(3R)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-cyclohexylsulfanyl-1-[(3R)-3-(2,3-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(cyclohexylthio)-1-[(3R)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-cyclohexylsulfanyl-1-[(3R)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(cyclohexylthio)-1-[(5R)-5-(2,3-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CSC3CCCCC3)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@H]2CC(=NN2C(=O)CSC3CCCCC3)C4=CC=CS4

InChI

InChI=1S/C23H28N2O3S2/c1-27-20-11-6-10-17(23(20)28-2)19-14-18(21-12-7-13-29-21)24-25(19)22(26)15-30-16-8-4-3-5-9-16/h6-7,10-13,16,19H,3-5,8-9,14-15H2,1-2H3/t19-/m1/s1