2-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)benzoic acid

Systemtic Name: 2-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)benzoic acid Openeye Name: 2-(5-oxo-3-thioxo-2H-1,2,4-triazin-6-yl)benzoic acid CAS Name: 2-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)benzoic acid IUPAC Name: 2-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)benzoic acid Traditional Name: 2-(5-keto-3-thioxo-2H-1,2,4-triazin-6-yl)benzoic acid Formula: C10H7N3O3S MolecularWeight: 249.24588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NNC(=S)NC2=O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=NNC(=S)NC2=O)C(=O)O

InChI

InChI=1S/C10H7N3O3S/c14-8-7(12-13-10(17)11-8)5-3-1-2-4-6(5)9(15)16/h1-4H,(H,15,16)(H2,11,13,14,17)