diethyl 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2,6-dicarboxylate

Systemtic Name: diethyl 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2,6-dicarboxylate Openeye Name: diethyl 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2,6-dicarboxylate CAS Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]pyridine-2,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2,6-dicarboxylate Traditional Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]pyridine-2,6-dicarboxylic acid diethyl ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=N1)C(=O)OCC)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=N1)C(=O)OCC)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O4S/c1-3-26-17(24)14-10-13(11-15(20-14)18(25)27-4-2)28-19-21-16(22-23-19)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,21,22,23)