4-cyano-3-[4-(2-cyanophenyl)phenyl]-5-ethyl-thiophene-2-carboxylic acid

Systemtic Name: 4-cyano-3-[4-(2-cyanophenyl)phenyl]-5-ethyl-thiophene-2-carboxylic acid Openeye Name: 4-cyano-3-[4-(2-cyanophenyl)phenyl]-5-ethyl-thiophene-2-carboxylic acid CAS Name: 4-cyano-3-[4-(2-cyanophenyl)phenyl]-5-ethyl-2-thiophenecarboxylic acid IUPAC Name: 4-cyano-3-[4-(2-cyanophenyl)phenyl]-5-ethylthiophene-2-carboxylic acid Traditional Name: 4-cyano-3-[4-(2-cyanophenyl)phenyl]-5-ethyl-2-thenoic acid Formula: C21H14N2O2S MolecularWeight: 358.41306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3C#N)C#N

Isomeric SMILES

CCC1=C(C(=C(S1)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3C#N)C#N

InChI

InChI=1S/C21H14N2O2S/c1-2-18-17(12-23)19(20(26-18)21(24)25)14-9-7-13(8-10-14)16-6-4-3-5-15(16)11-22/h3-10H,2H2,1H3,(H,24,25)