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

Systemtic Name: methyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C6H9N3O2S MolecularWeight: 187.21956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)OC

Isomeric SMILES

CN1C=NN=C1SCC(=O)OC

InChI

InChI=1S/C6H9N3O2S/c1-9-4-7-8-6(9)12-3-5(10)11-2/h4H,3H2,1-2H3