2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-[[5-(trifluoromethyl)-2-pyridinyl]thio]butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[[5-(trifluoromethyl)-2-pyridyl]thio]butyronitrile Formula: C19H15F3N4OS MolecularWeight: 404.40881

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C19H15F3N4OS/c1-25-14-5-3-4-6-15(14)26(2)18(25)13(9-23)16(27)11-28-17-8-7-12(10-24-17)19(20,21)22/h3-8,10H,11H2,1-2H3