2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]nicotinic acid Formula: C13H9N5O2S MolecularWeight: 299.30786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C13H9N5O2S/c19-12(20)10-7-4-8-14-11(10)21-13-15-16-17-18(13)9-5-2-1-3-6-9/h1-8H,(H,19,20)