diethyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanedioate

Systemtic Name: diethyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanedioate Openeye Name: diethyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanedioate CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanedioate Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]malonic acid diethyl ester Formula: C10H15N3O4S MolecularWeight: 273.3088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NN=CN1C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NN=CN1C

InChI

InChI=1S/C10H15N3O4S/c1-4-16-8(14)7(9(15)17-5-2)18-10-12-11-6-13(10)3/h6-7H,4-5H2,1-3H3