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

Systemtic Name: methyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(2-hydroxyethylsulfanylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxyethylsulfanylmethyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-hydroxyethylthio)methyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxyethylsulfanylmethyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(2-hydroxyethylthio)methyl]triazole-4-carboxylic acid methyl ester Formula: C9H12N6O4S MolecularWeight: 300.29438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)C2=NON=C2N)CSCCO

Isomeric SMILES

COC(=O)C1=C(N(N=N1)C2=NON=C2N)CSCCO

InChI

InChI=1S/C9H12N6O4S/c1-18-9(17)6-5(4-20-3-2-16)15(14-11-6)8-7(10)12-19-13-8/h16H,2-4H2,1H3,(H2,10,12)