2-(2,2-dimethylpropylsulfanyl)-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-(2,2-dimethylpropylsulfanyl)-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(2,2-dimethylpropylsulfanyl)-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-(2,2-dimethylpropylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(2,2-dimethylpropylsulfanyl)-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(4-methoxyphenyl)-2-(neopentylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C19H19F3N2OS MolecularWeight: 380.42717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C(F)(F)F)C#N

Isomeric SMILES

CC(C)(C)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C(F)(F)F)C#N

InChI

InChI=1S/C19H19F3N2OS/c1-18(2,3)11-26-17-14(10-23)15(19(20,21)22)9-16(24-17)12-5-7-13(25-4)8-6-12/h5-9H,11H2,1-4H3