4-[(4Z)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H21N3O4S/c1-15-20(6-4-5-16-7-9-17(10-8-16)23(2)3)21(25)24(22-15)18-11-13-19(14-12-18)29(26,27)28/h4-14H,1-3H3,(H,26,27,28)/b5-4+,20-6-