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

Systemtic Name: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H10N4O4S MolecularWeight: 294.2865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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