6-methoxy-3-(4-methylsulfanylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine

Systemtic Name: 6-methoxy-3-(4-methylsulfanylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine Openeye Name: 6-methoxy-3-(4-methylsulfanylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine CAS Name: 6-methoxy-4-(4-methylsulfonylphenyl)-3-[4-(methylthio)phenyl]-2-(trifluoromethyl)pyridine IUPAC Name: 6-methoxy-3-(4-methylsulfanylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine Traditional Name: 4-(4-mesylphenyl)-6-methoxy-3-[4-(methylthio)phenyl]-2-(trifluoromethyl)pyridine Formula: C21H18F3NO3S2 MolecularWeight: 453.49773

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)SC)C(F)(F)F

Isomeric SMILES

COC1=NC(=C(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)SC)C(F)(F)F

InChI

InChI=1S/C21H18F3NO3S2/c1-28-18-12-17(13-6-10-16(11-7-13)30(3,26)27)19(20(25-18)21(22,23)24)14-4-8-15(29-2)9-5-14/h4-12H,1-3H3