2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-pyridinecarboxylate IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]nicotinate Formula: C9H7N4O2S- MolecularWeight: 235.24248

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C9H8N4O2S/c1-13-5-11-12-9(13)16-7-6(8(14)15)3-2-4-10-7/h2-5H,1H3,(H,14,15)/p-1