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

Systemtic Name: 3-[(2Z)-2-[(4-octoxyphenyl)methylidene]-3-oxidanylidene-1-benzothiophen-5-yl]propanenitrile Openeye Name: 3-[(2Z)-2-[(4-octoxyphenyl)methylene]-3-oxo-benzothiophen-5-yl]propanenitrile CAS Name: 3-[(2Z)-2-[(4-octoxyphenyl)methylidene]-3-oxo-1-benzothiophen-5-yl]propanenitrile IUPAC Name: 3-[(2Z)-2-[(4-octoxyphenyl)methylidene]-3-oxo-1-benzothiophen-5-yl]propanenitrile Traditional Name: 3-[(2Z)-3-keto-2-(4-octoxybenzylidene)benzothiophen-5-yl]propionitrile Formula: C26H29NO2S MolecularWeight: 419.57896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)C3=C(S2)C=CC(=C3)CCC#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(S2)C=CC(=C3)CCC#N

InChI

InChI=1S/C26H29NO2S/c1-2-3-4-5-6-7-17-29-22-13-10-21(11-14-22)19-25-26(28)23-18-20(9-8-16-27)12-15-24(23)30-25/h10-15,18-19H,2-9,17H2,1H3/b25-19-