(2,3-dimethylisoindol-1-yl) 1-methyl-1,2,4-triazole-3-sulfonate

Systemtic Name: (2,3-dimethylisoindol-1-yl) 1-methyl-1,2,4-triazole-3-sulfonate Openeye Name: (2,3-dimethylisoindol-1-yl) 1-methyl-1,2,4-triazole-3-sulfonate CAS Name: 1-methyl-1,2,4-triazole-3-sulfonic acid (2,3-dimethyl-1-isoindolyl) ester IUPAC Name: (2,3-dimethylisoindol-1-yl) 1-methyl-1,2,4-triazole-3-sulfonate Traditional Name: 1-methyl-1,2,4-triazole-3-sulfonic acid (2,3-dimethylisoindol-1-yl) ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=CC2=C(N1C)OS(=O)(=O)C3=NN(C=N3)C

Isomeric SMILES

CC1=C2C=CC=CC2=C(N1C)OS(=O)(=O)C3=NN(C=N3)C

InChI

InChI=1S/C13H14N4O3S/c1-9-10-6-4-5-7-11(10)12(17(9)3)20-21(18,19)13-14-8-16(2)15-13/h4-8H,1-3H3