2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]nicotinic acid Formula: C8H7N5O2S MolecularWeight: 237.23848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=NNC(=N2)N)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SC2=NNC(=N2)N)C(=O)O

InChI

InChI=1S/C8H7N5O2S/c9-7-11-8(13-12-7)16-5-4(6(14)15)2-1-3-10-5/h1-3H,(H,14,15)(H3,9,11,12,13)