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

Systemtic Name: 2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C10H8N4O4S MolecularWeight: 280.25992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NN2)SCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NN2)SCC(=O)O

InChI

InChI=1S/C10H8N4O4S/c15-8(16)5-19-10-11-9(12-13-10)6-2-1-3-7(4-6)14(17)18/h1-4H,5H2,(H,15,16)(H,11,12,13)