ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]triazole-4-carboxylic acid ethyl ester Formula: C17H18N8O4S MolecularWeight: 430.44102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C(N=NN3C4=NON=C4N)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C(N=NN3C4=NON=C4N)C(=O)OCC

InChI

InChI=1S/C17H18N8O4S/c1-3-27-9-5-6-10-11(7-9)20-17(19-10)30-8-12-13(16(26)28-4-2)21-24-25(12)15-14(18)22-29-23-15/h5-7H,3-4,8H2,1-2H3,(H2,18,22)(H,19,20)