2-(4-ethanoyl-3-methylsulfanyl-5-oxidanylidene-1-phenyl-hex-2-enylidene)propanedinitrile

Systemtic Name: 2-(4-ethanoyl-3-methylsulfanyl-5-oxidanylidene-1-phenyl-hex-2-enylidene)propanedinitrile Openeye Name: 2-(4-acetyl-3-methylsulfanyl-5-oxo-1-phenyl-hex-2-enylidene)propanedinitrile CAS Name: 2-[4-acetyl-3-(methylthio)-5-oxo-1-phenylhex-2-enylidene]propanedinitrile IUPAC Name: 2-(4-acetyl-3-methylsulfanyl-5-oxo-1-phenylhex-2-enylidene)propanedinitrile Traditional Name: 2-[4-acetyl-5-keto-3-(methylthio)-1-phenyl-hex-2-enylidene]malononitrile Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O2S/c1-12(21)18(13(2)22)17(23-3)9-16(15(10-19)11-20)14-7-5-4-6-8-14/h4-9,18H,1-3H3