4,5-bis(chloranyl)-2-(6-methyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl)benzoic acid

Systemtic Name: 4,5-bis(chloranyl)-2-(6-methyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl)benzoic acid Openeye Name: 4,5-dichloro-2-(6-methyl-7-thioxo-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl)benzoic acid CAS Name: 4,5-dichloro-2-(6-methyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl)benzoic acid IUPAC Name: 4,5-dichloro-2-(6-methyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl)benzoic acid Traditional Name: 4,5-dichloro-2-(6-methyl-7-thioxo-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl)benzoic acid Formula: C12H7Cl2N5O2S MolecularWeight: 356.18728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=NC(=NN2C1=S)C3=CC(=C(C=C3C(=O)O)Cl)Cl

Isomeric SMILES

CN1C=NC2=NC(=NN2C1=S)C3=CC(=C(C=C3C(=O)O)Cl)Cl

InChI

InChI=1S/C12H7Cl2N5O2S/c1-18-4-15-11-16-9(17-19(11)12(18)22)5-2-7(13)8(14)3-6(5)10(20)21/h2-4H,1H3,(H,20,21)