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

Systemtic Name: 2-[(4-aminocarbonylphenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(4-carbamoylphenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(4-carbamoylphenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(4-carbamoylphenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(4-carbamoylbenzyl)thio]nicotinic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O3S/c15-12(17)10-5-3-9(4-6-10)8-20-13-11(14(18)19)2-1-7-16-13/h1-7H,8H2,(H2,15,17)(H,18,19)