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

Systemtic Name: 3-(4,4-dimethyl-2-methylsulfanyl-5-oxidanylidene-imidazol-1-yl)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 3-(4,4-dimethyl-2-methylsulfanyl-5-oxo-imidazol-1-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 3-[4,4-dimethyl-2-(methylthio)-5-oxo-1-imidazolyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 3-(4,4-dimethyl-2-methylsulfanyl-5-oxoimidazol-1-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 3-[5-keto-4,4-dimethyl-2-(methylthio)-2-imidazolin-1-yl]-2-(trifluoromethyl)benzonitrile Formula: C14H12F3N3OS MolecularWeight: 327.32479

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=N1)SC)C2=CC=CC(=C2C(F)(F)F)C#N)C

Isomeric SMILES

CC1(C(=O)N(C(=N1)SC)C2=CC=CC(=C2C(F)(F)F)C#N)C

InChI

InChI=1S/C14H12F3N3OS/c1-13(2)11(21)20(12(19-13)22-3)9-6-4-5-8(7-18)10(9)14(15,16)17/h4-6H,1-3H3