methyl 5-nitro-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate

Systemtic Name: methyl 5-nitro-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: methyl 5-nitro-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate CAS Name: 5-nitro-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-nitro-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Traditional Name: 5-nitro-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]nicotinic acid methyl ester Formula: C15H11N5O4S MolecularWeight: 357.34394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)SC2=NNC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)SC2=NNC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O4S/c1-24-14(21)10-7-11(20(22)23)13(16-8-10)25-15-17-12(18-19-15)9-5-3-2-4-6-9/h2-8H,1H3,(H,17,18,19)