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

Systemtic Name: ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C12H12N8O3S MolecularWeight: 348.34048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N8O3S/c1-2-22-11(21)8-7(6-24-12-14-4-3-5-15-12)20(19-16-8)10-9(13)17-23-18-10/h3-5H,2,6H2,1H3,(H2,13,17)