(2E)-2-[(5-methylthiophen-3-yl)-oxidanyl-methylidene]-3-oxidanylidene-hexanenitrile

Systemtic Name: (2E)-2-[(5-methylthiophen-3-yl)-oxidanyl-methylidene]-3-oxidanylidene-hexanenitrile Openeye Name: (2E)-2-[hydroxy-(5-methyl-3-thienyl)methylene]-3-oxo-hexanenitrile CAS Name: (2E)-2-[hydroxy-(5-methyl-3-thiophenyl)methylidene]-3-oxohexanenitrile IUPAC Name: (2E)-2-[hydroxy-(5-methylthiophen-3-yl)methylidene]-3-oxohexanenitrile Traditional Name: (E)-2-butyryl-3-hydroxy-3-(5-methyl-3-thienyl)acrylonitrile Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(=C(C1=CSC(=C1)C)O)C#N

Isomeric SMILES

CCCC(=O)/C(=C(\C1=CSC(=C1)C)/O)/C#N

InChI

InChI=1S/C12H13NO2S/c1-3-4-11(14)10(6-13)12(15)9-5-8(2)16-7-9/h5,7,15H,3-4H2,1-2H3/b12-10+