3-[(2Z)-2-[(4-butoxyphenyl)methylidene]-3-oxidanylidene-1-benzothiophen-5-yl]propanenitrile

Systemtic Name: 3-[(2Z)-2-[(4-butoxyphenyl)methylidene]-3-oxidanylidene-1-benzothiophen-5-yl]propanenitrile Openeye Name: 3-[(2Z)-2-[(4-butoxyphenyl)methylene]-3-oxo-benzothiophen-5-yl]propanenitrile CAS Name: 3-[(2Z)-2-[(4-butoxyphenyl)methylidene]-3-oxo-1-benzothiophen-5-yl]propanenitrile IUPAC Name: 3-[(2Z)-2-[(4-butoxyphenyl)methylidene]-3-oxo-1-benzothiophen-5-yl]propanenitrile Traditional Name: 3-[(2Z)-2-(4-butoxybenzylidene)-3-keto-benzothiophen-5-yl]propionitrile Formula: C22H21NO2S MolecularWeight: 363.47264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C2C(=O)C3=C(S2)C=CC(=C3)CCC#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(S2)C=CC(=C3)CCC#N

InChI

InChI=1S/C22H21NO2S/c1-2-3-13-25-18-9-6-17(7-10-18)15-21-22(24)19-14-16(5-4-12-23)8-11-20(19)26-21/h6-11,14-15H,2-5,13H2,1H3/b21-15-