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

Systemtic Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-nitro-benzoic acid Openeye Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-nitro-benzoic acid CAS Name: 5-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-nitrobenzoic acid IUPAC Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-nitrobenzoic acid Traditional Name: 5-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-nitro-benzoic acid Formula: C10H8N4O4S MolecularWeight: 280.25992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN1C=NN=C1SC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H8N4O4S/c1-13-5-11-12-10(13)19-6-2-3-8(14(17)18)7(4-6)9(15)16/h2-5H,1H3,(H,15,16)