4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[4-chloro-3-(trifluoromethyl)phenyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[4-chloro-3-(trifluoromethyl)phenyl]thio]-3-keto-butyronitrile Formula: C13H10ClF3N2OS MolecularWeight: 334.74451

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=CC(=C(C=C1)Cl)C(F)(F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=CC(=C(C=C1)Cl)C(F)(F)F

InChI

InChI=1S/C13H10ClF3N2OS/c1-7(19)9(5-18)12(20)6-21-8-2-3-11(14)10(4-8)13(15,16)17/h2-4,9,19H,6H2,1H3