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

Systemtic Name: 3-[(2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxidanylidene-1-benzothiophen-4-yl]propanenitrile Openeye Name: 3-[(2Z)-2-[(4-hexoxyphenyl)methylene]-3-oxo-benzothiophen-4-yl]propanenitrile CAS Name: 3-[(2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxo-1-benzothiophen-4-yl]propanenitrile IUPAC Name: 3-[(2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxo-1-benzothiophen-4-yl]propanenitrile Traditional Name: 3-[(2Z)-2-(4-hexoxybenzylidene)-3-keto-benzothiophen-4-yl]propionitrile Formula: C24H25NO2S MolecularWeight: 391.5258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C2C(=O)C3=C(C=CC=C3S2)CCC#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(C=CC=C3S2)CCC#N

InChI

InChI=1S/C24H25NO2S/c1-2-3-4-5-16-27-20-13-11-18(12-14-20)17-22-24(26)23-19(9-7-15-25)8-6-10-21(23)28-22/h6,8,10-14,17H,2-5,7,9,16H2,1H3/b22-17-