5-cyclohexylsulfanyl-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde

Systemtic Name: 5-cyclohexylsulfanyl-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Openeye Name: 5-cyclohexylsulfanyl-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde CAS Name: 5-(cyclohexylthio)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 5-cyclohexylsulfanyl-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Traditional Name: 5-(cyclohexylthio)-1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Formula: C17H18F3N3O3S2 MolecularWeight: 433.46833

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C=O)SC3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C=O)SC3CCCCC3

InChI

InChI=1S/C17H18F3N3O3S2/c1-28(25,26)12-7-8-14(21-9-12)23-16(27-11-5-3-2-4-6-11)13(10-24)15(22-23)17(18,19)20/h7-11H,2-6H2,1H3