(4-chloranyl-2-methyl-phenyl) 1H-1,2,4-triazole-5-sulfonate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 1H-1,2,4-triazole-5-sulfonate Openeye Name: (4-chloro-2-methyl-phenyl) 1H-1,2,4-triazole-5-sulfonate CAS Name: 1H-1,2,4-triazole-5-sulfonic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 1H-1,2,4-triazole-5-sulfonate Traditional Name: 1H-1,2,4-triazole-5-sulfonic acid (4-chloro-2-methyl-phenyl) ester Formula: C9H8ClN3O3S MolecularWeight: 273.69612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=NC=NN2

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=NC=NN2

InChI

InChI=1S/C9H8ClN3O3S/c1-6-4-7(10)2-3-8(6)16-17(14,15)9-11-5-12-13-9/h2-5H,1H3,(H,11,12,13)