(2E)-4-(4-chlorophenyl)sulfanyl-2-(dimethylaminomethylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-4-(4-chlorophenyl)sulfanyl-2-(dimethylaminomethylidene)-3-oxidanylidene-butanenitrile Openeye Name: (2E)-4-(4-chlorophenyl)sulfanyl-2-(dimethylaminomethylene)-3-oxo-butanenitrile CAS Name: (2E)-4-[(4-chlorophenyl)thio]-2-(dimethylaminomethylidene)-3-oxobutanenitrile IUPAC Name: (2E)-4-(4-chlorophenyl)sulfanyl-2-(dimethylaminomethylidene)-3-oxobutanenitrile Traditional Name: (E)-2-[2-[(4-chlorophenyl)thio]acetyl]-3-(dimethylamino)acrylonitrile Formula: C13H13ClN2OS MolecularWeight: 280.77312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)/C=C(\C#N)/C(=O)CSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H13ClN2OS/c1-16(2)8-10(7-15)13(17)9-18-12-5-3-11(14)4-6-12/h3-6,8H,9H2,1-2H3/b10-8+