2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C11H9N4O4S- MolecularWeight: 293.27856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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