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

Systemtic Name: 3-(bromomethyl)-4-(4-methylsulfanylphenyl)-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-(bromomethyl)-4-(4-methylsulfanylphenyl)-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-(bromomethyl)-4-[4-(methylthio)phenyl]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-(bromomethyl)-4-(4-methylsulfanylphenyl)-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-(bromomethyl)-4-[4-(methylthio)phenyl]-5-phenyl-2-thenoic acid Formula: C19H15BrO2S2 MolecularWeight: 419.3552

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(SC(=C2CBr)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(SC(=C2CBr)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H15BrO2S2/c1-23-14-9-7-12(8-10-14)16-15(11-20)18(19(21)22)24-17(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,22)