5-[4,4-dimethyl-5-oxidanylidene-2-(phenylmethylsulfanyl)imidazol-1-yl]-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile

Systemtic Name: 5-[4,4-dimethyl-5-oxidanylidene-2-(phenylmethylsulfanyl)imidazol-1-yl]-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile Openeye Name: 5-(2-benzylsulfanyl-4,4-dimethyl-5-oxo-imidazol-1-yl)-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile CAS Name: 5-[4,4-dimethyl-5-oxo-2-(phenylmethylthio)-1-imidazolyl]-6-(trifluoromethyl)-1-cyclohexa-1,5-dienecarbonitrile IUPAC Name: 5-(2-benzylsulfanyl-4,4-dimethyl-5-oxoimidazol-1-yl)-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile Traditional Name: 5-[2-(benzylthio)-5-keto-4,4-dimethyl-2-imidazolin-1-yl]-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile Formula: C20H18F3N3OS MolecularWeight: 405.43663

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=N1)SCC2=CC=CC=C2)C3=C(C(=CCC3)C#N)C(F)(F)F)C

Isomeric SMILES

CC1(C(=O)N(C(=N1)SCC2=CC=CC=C2)C3=C(C(=CCC3)C#N)C(F)(F)F)C

InChI

InChI=1S/C20H18F3N3OS/c1-19(2)17(27)26(18(25-19)28-12-13-7-4-3-5-8-13)15-10-6-9-14(11-24)16(15)20(21,22)23/h3-5,7-9H,6,10,12H2,1-2H3