4-[4,4-dimethyl-5-oxidanylidene-2-(phenylmethylsulfanyl)imidazol-1-yl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[4,4-dimethyl-5-oxidanylidene-2-(phenylmethylsulfanyl)imidazol-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(2-benzylsulfanyl-4,4-dimethyl-5-oxo-imidazol-1-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 4-[4,4-dimethyl-5-oxo-2-(phenylmethylthio)-1-imidazolyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(2-benzylsulfanyl-4,4-dimethyl-5-oxoimidazol-1-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[2-(benzylthio)-5-keto-4,4-dimethyl-2-imidazolin-1-yl]-2-(trifluoromethyl)benzonitrile Formula: C20H16F3N3OS MolecularWeight: 403.42075

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=N1)SCC2=CC=CC=C2)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

Isomeric SMILES

CC1(C(=O)N(C(=N1)SCC2=CC=CC=C2)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

InChI

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