2-(2-imidazol-1-ylethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(2-imidazol-1-ylethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(2-imidazol-1-ylethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-[2-(1-imidazolyl)ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-(2-imidazol-1-ylethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(2-imidazol-1-ylethylthio)nicotinic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCN2C=CN=C2)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCCN2C=CN=C2)C(=O)O

InChI

InChI=1S/C11H11N3O2S/c15-11(16)9-2-1-3-13-10(9)17-7-6-14-5-4-12-8-14/h1-5,8H,6-7H2,(H,15,16)