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

Systemtic Name: ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(phenylthio)methyl]triazole-4-carboxylic acid ethyl ester Formula: C14H14N6O3S MolecularWeight: 346.36436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=C3

InChI

InChI=1S/C14H14N6O3S/c1-2-22-14(21)11-10(8-24-9-6-4-3-5-7-9)20(19-16-11)13-12(15)17-23-18-13/h3-7H,2,8H2,1H3,(H2,15,17)