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

Systemtic Name: ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(thiocyanatomethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C9H9N7O3S MolecularWeight: 295.27786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N7O3S/c1-2-18-9(17)6-5(3-20-4-10)16(15-12-6)8-7(11)13-19-14-8/h2-3H2,1H3,(H2,11,13)