4-[(E)-1-cyano-2-(4-methylsulfanylphenyl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-1-cyano-2-(4-methylsulfanylphenyl)ethenyl]benzoic acid Openeye Name: 4-[(E)-1-cyano-2-(4-methylsulfanylphenyl)vinyl]benzoic acid CAS Name: 4-[(E)-1-cyano-2-[4-(methylthio)phenyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-1-cyano-2-(4-methylsulfanylphenyl)ethenyl]benzoic acid Traditional Name: 4-[(E)-1-cyano-2-[4-(methylthio)phenyl]vinyl]benzoic acid Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(/C#N)\C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H13NO2S/c1-21-16-8-2-12(3-9-16)10-15(11-18)13-4-6-14(7-5-13)17(19)20/h2-10H,1H3,(H,19,20)/b15-10-