methyl 2-(5-methylsulfanyl-3-nitro-1,2,4-triazol-1-yl)ethanoate

Systemtic Name: methyl 2-(5-methylsulfanyl-3-nitro-1,2,4-triazol-1-yl)ethanoate Openeye Name: methyl 2-(5-methylsulfanyl-3-nitro-1,2,4-triazol-1-yl)acetate CAS Name: 2-[5-(methylthio)-3-nitro-1,2,4-triazol-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-(5-methylsulfanyl-3-nitro-1,2,4-triazol-1-yl)acetate Traditional Name: 2-[5-(methylthio)-3-nitro-1,2,4-triazol-1-yl]acetic acid methyl ester Formula: C6H8N4O4S MolecularWeight: 232.21712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NC(=N1)[N+](=O)[O-])SC

Isomeric SMILES

COC(=O)CN1C(=NC(=N1)[N+](=O)[O-])SC

InChI

InChI=1S/C6H8N4O4S/c1-14-4(11)3-9-6(15-2)7-5(8-9)10(12)13/h3H2,1-2H3