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

Systemtic Name: methyl 2-(3-nitro-5-phenylsulfanyl-1,2,4-triazol-1-yl)ethanoate Openeye Name: methyl 2-(3-nitro-5-phenylsulfanyl-1,2,4-triazol-1-yl)acetate CAS Name: 2-[3-nitro-5-(phenylthio)-1,2,4-triazol-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-(3-nitro-5-phenylsulfanyl-1,2,4-triazol-1-yl)acetate Traditional Name: 2-[3-nitro-5-(phenylthio)-1,2,4-triazol-1-yl]acetic acid methyl ester Formula: C11H10N4O4S MolecularWeight: 294.2865

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

COC(=O)CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C11H10N4O4S/c1-19-9(16)7-14-11(12-10(13-14)15(17)18)20-8-5-3-2-4-6-8/h2-6H,7H2,1H3