6-tert-butyl-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-tert-butyl-2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-tert-butyl-2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-tert-butyl-2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-tert-butyl-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]-4-(trifluoromethyl)nicotinonitrile Formula: C23H21F3N2O2S MolecularWeight: 446.48525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=C(C(=CC(=N3)C(C)(C)C)C(F)(F)F)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=C(C(=CC(=N3)C(C)(C)C)C(F)(F)F)C#N)C

InChI

InChI=1S/C23H21F3N2O2S/c1-12-6-7-15-14(8-19(29)30-20(15)13(12)2)11-31-21-16(10-27)17(23(24,25)26)9-18(28-21)22(3,4)5/h6-9H,11H2,1-5H3