2-[[(3-ethanoylphenyl)-methylsulfanyl-amino]methylidene]propanedinitrile

Systemtic Name: 2-[[(3-ethanoylphenyl)-methylsulfanyl-amino]methylidene]propanedinitrile Openeye Name: 2-[(3-acetyl-N-methylsulfanyl-anilino)methylene]propanedinitrile CAS Name: N-(3-acetylphenyl)-N-(2,2-dicyanoethenyl)methanesulfenamide IUPAC Name: 2-[(3-acetyl-N-methylsulfanylanilino)methylidene]propanedinitrile Traditional Name: 2-[(3-acetyl-N-(methylthio)anilino)methylene]malononitrile Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N(C=C(C#N)C#N)SC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N(C=C(C#N)C#N)SC

InChI

InChI=1S/C13H11N3OS/c1-10(17)12-4-3-5-13(6-12)16(18-2)9-11(7-14)8-15/h3-6,9H,1-2H3