ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(pyridin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(pyridin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-pyridylsulfanylmethyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-pyridinylthio)methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyridin-2-ylsulfanylmethyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(2-pyridylthio)methyl]triazole-4-carboxylic acid ethyl ester Formula: C13H13N7O3S MolecularWeight: 347.35242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=N3

InChI

InChI=1S/C13H13N7O3S/c1-2-22-13(21)10-8(7-24-9-5-3-4-6-15-9)20(19-16-10)12-11(14)17-23-18-12/h3-6H,2,7H2,1H3,(H2,14,17)