ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-benzimidazol-2-ylthio)methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(1H-benzimidazol-2-ylthio)methyl]triazole-4-carboxylic acid ethyl ester Formula: C15H14N8O3S MolecularWeight: 386.38846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C15H14N8O3S/c1-2-25-14(24)11-10(23(22-19-11)13-12(16)20-26-21-13)7-27-15-17-8-5-3-4-6-9(8)18-15/h3-6H,2,7H2,1H3,(H2,16,20)(H,17,18)