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

Systemtic Name: methyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(2-pyrimidylthio)methyl]triazole-4-carboxylic acid methyl ester Formula: C11H10N8O3S MolecularWeight: 334.3139

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NC=CC=N3

InChI

InChI=1S/C11H10N8O3S/c1-21-10(20)7-6(5-23-11-13-3-2-4-14-11)19(18-15-7)9-8(12)16-22-17-9/h2-4H,5H2,1H3,(H2,12,16)