2-ethanimidoyl-3-oxidanylidene-4-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-butanenitrile

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-butanenitrile Openeye Name: 4-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]butanenitrile IUPAC Name: 4-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]-3-keto-butyronitrile Formula: C21H17F3N4OS MolecularWeight: 430.44609

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C21H17F3N4OS/c1-13(26)16(10-25)19(29)12-30-20-27-17-9-15(21(22,23)24)7-8-18(17)28(20)11-14-5-3-2-4-6-14/h2-9,16,26H,11-12H2,1H3