4-methyl-5-phenyl-1,2,4-triazole-3-sulfonate

Systemtic Name: 4-methyl-5-phenyl-1,2,4-triazole-3-sulfonate Openeye Name: 4-methyl-5-phenyl-1,2,4-triazole-3-sulfonate CAS Name: 4-methyl-5-phenyl-1,2,4-triazole-3-sulfonate IUPAC Name: 4-methyl-5-phenyl-1,2,4-triazole-3-sulfonate Traditional Name: 4-methyl-5-phenyl-1,2,4-triazole-3-sulfonate Formula: C9H8N3O3S- MolecularWeight: 238.24312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1S(=O)(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1S(=O)(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C9H9N3O3S/c1-12-8(7-5-3-2-4-6-7)10-11-9(12)16(13,14)15/h2-6H,1H3,(H,13,14,15)/p-1