(4-methylphenyl) 6-isocyano-2,5-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-sulfinate

Systemtic Name: (4-methylphenyl) 6-isocyano-2,5-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-sulfinate Openeye Name: p-tolyl 6-isocyano-2,5-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-sulfinate CAS Name: 6-isocyano-2,5-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-sulfinic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 6-isocyano-2,5-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-sulfinate Traditional Name: 6-isocyano-2,5-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-sulfinic acid p-tolyl ester Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)C2=C3N=C(NN3C(=C2[N+]#[C-])C)C

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)C2=C3N=C(NN3C(=C2[N+]#[C-])C)C

InChI

InChI=1S/C15H14N4O2S/c1-9-5-7-12(8-6-9)21-22(20)14-13(16-4)10(2)19-15(14)17-11(3)18-19/h5-8H,1-3H3,(H,17,18)