ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(8-quinolylsulfanylmethyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(8-quinolinylthio)methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(quinolin-8-ylsulfanylmethyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(8-quinolylthio)methyl]triazole-4-carboxylic acid ethyl ester Formula: C17H15N7O3S MolecularWeight: 397.4111

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C17H15N7O3S/c1-2-26-17(25)14-11(24(23-20-14)16-15(18)21-27-22-16)9-28-12-7-3-5-10-6-4-8-19-13(10)12/h3-8H,2,9H2,1H3,(H2,18,21)