3-(4-chlorophenyl)-4-cyano-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)-4-cyano-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-4-cyano-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 3-(4-chlorophenyl)-4-cyano-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-4-cyano-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-4-cyano-5-(methylthio)-2-thenoic acid Formula: C13H8ClNO2S2 MolecularWeight: 309.79112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C(=O)O)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C(=O)O)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C13H8ClNO2S2/c1-18-13-9(6-15)10(11(19-13)12(16)17)7-2-4-8(14)5-3-7/h2-5H,1H3,(H,16,17)