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

Systemtic Name: 3-[(2Z)-2-[(3-hexoxyphenyl)methylidene]-3-oxidanylidene-1-benzothiophen-5-yl]propanenitrile Openeye Name: 3-[(2Z)-2-[(3-hexoxyphenyl)methylene]-3-oxo-benzothiophen-5-yl]propanenitrile CAS Name: 3-[(2Z)-2-[(3-hexoxyphenyl)methylidene]-3-oxo-1-benzothiophen-5-yl]propanenitrile IUPAC Name: 3-[(2Z)-2-[(3-hexoxyphenyl)methylidene]-3-oxo-1-benzothiophen-5-yl]propanenitrile Traditional Name: 3-[(2Z)-2-(3-hexoxybenzylidene)-3-keto-benzothiophen-5-yl]propionitrile Formula: C24H25NO2S MolecularWeight: 391.5258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)C=C2C(=O)C3=C(S2)C=CC(=C3)CCC#N

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)/C=C\2/C(=O)C3=C(S2)C=CC(=C3)CCC#N

InChI

InChI=1S/C24H25NO2S/c1-2-3-4-5-14-27-20-10-6-8-19(15-20)17-23-24(26)21-16-18(9-7-13-25)11-12-22(21)28-23/h6,8,10-12,15-17H,2-5,7,9,14H2,1H3/b23-17-