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

Systemtic Name: 4-(4,4-dimethyl-2-nonylsulfanyl-5-oxidanylidene-imidazol-1-yl)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(4,4-dimethyl-2-nonylsulfanyl-5-oxo-imidazol-1-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 4-[4,4-dimethyl-2-(nonylthio)-5-oxo-1-imidazolyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(4,4-dimethyl-2-nonylsulfanyl-5-oxoimidazol-1-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[5-keto-4,4-dimethyl-2-(nonylthio)-2-imidazolin-1-yl]-2-(trifluoromethyl)benzonitrile Formula: C22H28F3N3OS MolecularWeight: 439.53743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC(C(=O)N1C2=CC(=C(C=C2)C#N)C(F)(F)F)(C)C

Isomeric SMILES

CCCCCCCCCSC1=NC(C(=O)N1C2=CC(=C(C=C2)C#N)C(F)(F)F)(C)C

InChI

InChI=1S/C22H28F3N3OS/c1-4-5-6-7-8-9-10-13-30-20-27-21(2,3)19(29)28(20)17-12-11-16(15-26)18(14-17)22(23,24)25/h11-12,14H,4-10,13H2,1-3H3