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

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]butyronitrile Formula: C18H14F3N5OS MolecularWeight: 405.39687

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC=CC(=N3)C(F)(F)F)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC=CC(=N3)C(F)(F)F)C

InChI

InChI=1S/C18H14F3N5OS/c1-25-12-5-3-4-6-13(12)26(2)16(25)11(9-22)14(27)10-28-17-23-8-7-15(24-17)18(19,20)21/h3-8H,10H2,1-2H3