2-[(4-bromophenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(4-bromophenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(4-bromobenzyl)thio]nicotinic acid Formula: C13H10BrNO2S MolecularWeight: 324.193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H10BrNO2S/c14-10-5-3-9(4-6-10)8-18-12-11(13(16)17)2-1-7-15-12/h1-7H,8H2,(H,16,17)