(1,2,5,6,7,8-hexamethylindolizin-3-yl) 1-methyl-1,2,4-triazole-3-sulfonate

Systemtic Name: (1,2,5,6,7,8-hexamethylindolizin-3-yl) 1-methyl-1,2,4-triazole-3-sulfonate Openeye Name: (1,2,5,6,7,8-hexamethylindolizin-3-yl) 1-methyl-1,2,4-triazole-3-sulfonate CAS Name: 1-methyl-1,2,4-triazole-3-sulfonic acid (1,2,5,6,7,8-hexamethyl-3-indolizinyl) ester IUPAC Name: (1,2,5,6,7,8-hexamethylindolizin-3-yl) 1-methyl-1,2,4-triazole-3-sulfonate Traditional Name: 1-methyl-1,2,4-triazole-3-sulfonic acid (1,2,5,6,7,8-hexamethylindolizin-3-yl) ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C(N2C(=C1C)C)OS(=O)(=O)C3=NN(C=N3)C)C)C)C

Isomeric SMILES

CC1=C(C2=C(C(=C(N2C(=C1C)C)OS(=O)(=O)C3=NN(C=N3)C)C)C)C

InChI

InChI=1S/C17H22N4O3S/c1-9-10(2)14(6)21-15(11(9)3)12(4)13(5)16(21)24-25(22,23)17-18-8-20(7)19-17/h8H,1-7H3