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

Systemtic Name: methyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(pyridin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C12H11N7O3S MolecularWeight: 333.32584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N7O3S/c1-21-12(20)9-7(6-23-8-4-2-3-5-14-8)19(18-15-9)11-10(13)16-22-17-11/h2-5H,6H2,1H3,(H2,13,16)