3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid

Systemtic Name: 3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid Openeye Name: 3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid CAS Name: 3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)benzoic acid IUPAC Name: 3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid Traditional Name: 3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)benzoic acid Formula: C13H8N4O4S MolecularWeight: 316.29202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN=C(N2C=C1)SC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NN=C(N2C=C1)SC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O4S/c18-12(19)8-4-5-10(9(7-8)17(20)21)22-13-15-14-11-3-1-2-6-16(11)13/h1-7H,(H,18,19)