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

Systemtic Name: (2R)-4-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2R)-4-[[1-butyl-5-(trifluoromethyl)-2-benzimidazolyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-4-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]-3-keto-butyronitrile Formula: C18H19F3N4OS MolecularWeight: 396.42987

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1SCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C18H19F3N4OS/c1-3-4-7-25-15-6-5-12(18(19,20)21)8-14(15)24-17(25)27-10-16(26)13(9-22)11(2)23/h5-6,8,13,23H,3-4,7,10H2,1-2H3/t13-/m0/s1