6-(2,4-dimethoxyphenyl)-2-pentan-2-ylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(2,4-dimethoxyphenyl)-2-pentan-2-ylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(2,4-dimethoxyphenyl)-2-(1-methylbutylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(2,4-dimethoxyphenyl)-2-(pentan-2-ylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(2,4-dimethoxyphenyl)-2-pentan-2-ylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(2,4-dimethoxyphenyl)-2-(1-methylbutylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C20H21F3N2O2S MolecularWeight: 410.45315

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)SC1=C(C(=CC(=N1)C2=C(C=C(C=C2)OC)OC)C(F)(F)F)C#N

Isomeric SMILES

CCCC(C)SC1=C(C(=CC(=N1)C2=C(C=C(C=C2)OC)OC)C(F)(F)F)C#N

InChI

InChI=1S/C20H21F3N2O2S/c1-5-6-12(2)28-19-15(11-24)16(20(21,22)23)10-17(25-19)14-8-7-13(26-3)9-18(14)27-4/h7-10,12H,5-6H2,1-4H3