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

Systemtic Name: 2-[[4-azanyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C10H9N5O4S MolecularWeight: 295.27456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(N2N)SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(N2N)SCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H9N5O4S/c11-14-9(12-13-10(14)20-5-8(16)17)6-1-3-7(4-2-6)15(18)19/h1-4H,5,11H2,(H,16,17)