4-[1-cyano-2-(5-phenylsulfanylfuran-2-yl)ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-(5-phenylsulfanylfuran-2-yl)ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-(5-phenylsulfanyl-2-furyl)vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[5-(phenylthio)-2-furanyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(5-phenylsulfanylfuran-2-yl)ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[5-(phenylthio)-2-furyl]vinyl]benzoic acid Formula: C20H13NO3S MolecularWeight: 347.38712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(O2)C=C(C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(O2)C=C(C#N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H13NO3S/c21-13-16(14-6-8-15(9-7-14)20(22)23)12-17-10-11-19(24-17)25-18-4-2-1-3-5-18/h1-12H,(H,22,23)