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

Systemtic Name: methyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(thiocyanatomethyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiocyanatomethyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiocyanatomethyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiocyanatomethyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-(thiocyanatomethyl)triazole-4-carboxylic acid methyl ester Formula: C8H7N7O3S MolecularWeight: 281.25128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7N7O3S/c1-17-8(16)5-4(2-19-3-9)15(14-11-5)7-6(10)12-18-13-7/h2H2,1H3,(H2,10,12)