4-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-4-[(4-dimethylaminophenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-4-[4-(dimethylamino)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C19H19N3O4S/c1-13-18(12-14-4-6-15(7-5-14)21(2)3)19(23)22(20-13)16-8-10-17(11-9-16)27(24,25)26/h4-12H,1-3H3,(H,24,25,26)/b18-12-