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

Systemtic Name: methyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H12N8O3S MolecularWeight: 372.36188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N8O3S/c1-24-13(23)10-9(22(21-18-10)12-11(15)19-25-20-12)6-26-14-16-7-4-2-3-5-8(7)17-14/h2-5H,6H2,1H3,(H2,15,19)(H,16,17)