2-(2-azanylethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(2-azanylethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(2-aminoethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(2-aminoethylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(2-aminoethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(2-aminoethylthio)nicotinic acid Formula: C8H10N2O2S MolecularWeight: 198.2422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCN)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCCN)C(=O)O

InChI

InChI=1S/C8H10N2O2S/c9-3-5-13-7-6(8(11)12)2-1-4-10-7/h1-2,4H,3,5,9H2,(H,11,12)