ethyl 5-(2-hydroxyethylsulfanylmethyl)-1-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-(2-hydroxyethylsulfanylmethyl)-1-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(2-hydroxyethylsulfanylmethyl)-1-(4-phenyl-1,2,5-oxadiazol-3-yl)triazole-4-carboxylate CAS Name: 5-[(2-hydroxyethylthio)methyl]-1-(4-phenyl-1,2,5-oxadiazol-3-yl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-hydroxyethylsulfanylmethyl)-1-(4-phenyl-1,2,5-oxadiazol-3-yl)triazole-4-carboxylate Traditional Name: 5-[(2-hydroxyethylthio)methyl]-1-(4-phenylfurazan-3-yl)triazole-4-carboxylic acid ethyl ester Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=NON=C2C3=CC=CC=C3)CSCCO

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=NON=C2C3=CC=CC=C3)CSCCO

InChI

InChI=1S/C16H17N5O4S/c1-2-24-16(23)14-12(10-26-9-8-22)21(20-17-14)15-13(18-25-19-15)11-6-4-3-5-7-11/h3-7,22H,2,8-10H2,1H3