2-[4-(4-tert-butylphenyl)-4-oxidanylidene-butyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[4-(4-tert-butylphenyl)-4-oxidanylidene-butyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[4-(4-tert-butylphenyl)-4-oxo-butyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[4-(4-tert-butylphenyl)-4-oxobutyl]thio]-6-methyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[4-(4-tert-butylphenyl)-4-keto-butyl]thio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C22H23F3N2OS MolecularWeight: 420.49103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCCC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCCC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H23F3N2OS/c1-14-12-18(22(23,24)25)17(13-26)20(27-14)29-11-5-6-19(28)15-7-9-16(10-8-15)21(2,3)4/h7-10,12H,5-6,11H2,1-4H3