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

Systemtic Name: 4-[1-cyano-2-[5-(4-methylphenyl)sulfanylfuran-2-yl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[5-(p-tolylsulfanyl)-2-furyl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[5-[(4-methylphenyl)thio]-2-furanyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[5-(4-methylphenyl)sulfanylfuran-2-yl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[5-(p-tolylthio)-2-furyl]vinyl]benzoic acid Formula: C21H15NO3S MolecularWeight: 361.4137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(O2)C=C(C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(O2)C=C(C#N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H15NO3S/c1-14-2-9-19(10-3-14)26-20-11-8-18(25-20)12-17(13-22)15-4-6-16(7-5-15)21(23)24/h2-12H,1H3,(H,23,24)