2-[(1-methylpyrazol-4-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(1-methylpyrazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(1-methylpyrazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(1-methyl-4-pyrazolyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(1-methylpyrazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(1-methylpyrazol-4-yl)methylthio]nicotinate Formula: C11H10N3O2S- MolecularWeight: 248.281

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C11H11N3O2S/c1-14-6-8(5-13-14)7-17-10-9(11(15)16)3-2-4-12-10/h2-6H,7H2,1H3,(H,15,16)/p-1