6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carboxylate

Systemtic Name: 6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: 6-(1-phenyltetrazol-5-yl)sulfanylpyridine-3-carboxylate CAS Name: 6-[(1-phenyl-5-tetrazolyl)thio]-3-pyridinecarboxylate IUPAC Name: 6-(1-phenyltetrazol-5-yl)sulfanylpyridine-3-carboxylate Traditional Name: 6-[(1-phenyltetrazol-5-yl)thio]nicotinate Formula: C13H8N5O2S- MolecularWeight: 298.29992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC3=NC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3=NC=C(C=C3)C(=O)[O-]

InChI

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