3-(cyanomethyl)-4-(4-methylsulfanylphenyl)-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-(cyanomethyl)-4-(4-methylsulfanylphenyl)-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-(cyanomethyl)-4-(4-methylsulfanylphenyl)-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-(cyanomethyl)-4-[4-(methylthio)phenyl]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-(cyanomethyl)-4-(4-methylsulfanylphenyl)-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-(cyanomethyl)-4-[4-(methylthio)phenyl]-5-phenyl-2-thenoic acid Formula: C20H15NO2S2 MolecularWeight: 365.4686

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(SC(=C2CC#N)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(SC(=C2CC#N)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H15NO2S2/c1-24-15-9-7-13(8-10-15)17-16(11-12-21)19(20(22)23)25-18(17)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,22,23)