(5-methyl-2-phenyl-pyrazol-3-yl) 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate

Systemtic Name: (5-methyl-2-phenyl-pyrazol-3-yl) 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate Openeye Name: (5-methyl-2-phenyl-pyrazol-3-yl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate CAS Name: 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonic acid (5-methyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-methyl-2-phenylpyrazol-3-yl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3-methyl-1,3-benzoxazole-6-sulfonic acid (5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)OS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C)C4=CC=CC=C4

InChI

InChI=1S/C18H15N3O5S/c1-12-10-17(21(19-12)13-6-4-3-5-7-13)26-27(23,24)14-8-9-15-16(11-14)25-18(22)20(15)2/h3-11H,1-2H3