diethyl 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanedioate

Systemtic Name: diethyl 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanedioate Openeye Name: diethyl 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanedioate CAS Name: 2-(1H-1,2,4-triazol-5-ylthio)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanedioate Traditional Name: 2-(1H-1,2,4-triazol-5-ylthio)malonic acid diethyl ester Formula: C9H13N3O4S MolecularWeight: 259.28222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC=NN1

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC=NN1

InChI

InChI=1S/C9H13N3O4S/c1-3-15-7(13)6(8(14)16-4-2)17-9-10-5-11-12-9/h5-6H,3-4H2,1-2H3,(H,10,11,12)