4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; 8-oxidanylquinoline-7-sulfonic acid

Systemtic Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; 8-oxidanylquinoline-7-sulfonic acid Openeye Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; 8-hydroxyquinoline-7-sulfonic acid CAS Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone; 8-hydroxy-7-quinolinesulfonic acid IUPAC Name: 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one; 8-hydroxyquinoline-7-sulfonic acid Traditional Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; 8-hydroxyquinoline-7-sulfonic acid Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.C1=CC2=C(C(=C(C=C2)S(=O)(=O)O)O)N=C1

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.C1=CC2=C(C(=C(C=C2)S(=O)(=O)O)O)N=C1

InChI

InChI=1S/C13H17N3O.C9H7NO4S/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;11-9-7(15(12,13)14)4-3-6-2-1-5-10-8(6)9/h5-9H,1-4H3;1-5,11H,(H,12,13,14)