3-[(2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxidanylidene-1-benzothiophen-6-yl]propanenitrile

Systemtic Name: 3-[(2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxidanylidene-1-benzothiophen-6-yl]propanenitrile Openeye Name: 3-[(2Z)-2-[(4-hexoxyphenyl)methylene]-3-oxo-benzothiophen-6-yl]propanenitrile CAS Name: 3-[(2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxo-1-benzothiophen-6-yl]propanenitrile IUPAC Name: 3-[(2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxo-1-benzothiophen-6-yl]propanenitrile Traditional Name: 3-[(2Z)-2-(4-hexoxybenzylidene)-3-keto-benzothiophen-6-yl]propionitrile Formula: C24H25NO2S MolecularWeight: 391.5258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO2S/c1-2-3-4-5-15-27-20-11-8-19(9-12-20)17-23-24(26)21-13-10-18(7-6-14-25)16-22(21)28-23/h8-13,16-17H,2-7,15H2,1H3/b23-17-