4-[(4,4-dimethyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl)methylsulfanyl]-3-imidazol-1-yl-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[(4,4-dimethyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl)methylsulfanyl]-3-imidazol-1-yl-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[(4,4-dimethyl-3-oxo-cyclohexa-1,5-dien-1-yl)methylsulfanyl]-3-imidazol-1-yl-2-(trifluoromethyl)benzonitrile CAS Name: 4-[(4,4-dimethyl-3-oxo-1-cyclohexa-1,5-dienyl)methylthio]-3-(1-imidazolyl)-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[(4,4-dimethyl-3-oxocyclohexa-1,5-dien-1-yl)methylsulfanyl]-3-imidazol-1-yl-2-(trifluoromethyl)benzonitrile Traditional Name: 3-imidazol-1-yl-4-[(3-keto-4,4-dimethyl-cyclohexa-1,5-dien-1-yl)methylthio]-2-(trifluoromethyl)benzonitrile Formula: C20H16F3N3OS MolecularWeight: 403.42075

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=CC1=O)CSC2=C(C(=C(C=C2)C#N)C(F)(F)F)N3C=CN=C3)C

Isomeric SMILES

CC1(C=CC(=CC1=O)CSC2=C(C(=C(C=C2)C#N)C(F)(F)F)N3C=CN=C3)C

InChI

InChI=1S/C20H16F3N3OS/c1-19(2)6-5-13(9-16(19)27)11-28-15-4-3-14(10-24)17(20(21,22)23)18(15)26-8-7-25-12-26/h3-9,12H,11H2,1-2H3