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

Systemtic Name: 4-[4-(4-dimethylaminophenyl)imino-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[4-(4-dimethylaminophenyl)imino-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[4-(4-dimethylaminophenyl)imino-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[4-(4-dimethylaminophenyl)imino-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[4-(4-dimethylaminophenyl)imino-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1=NC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C18H18N4O4S/c1-12-17(19-13-4-6-14(7-5-13)21(2)3)18(23)22(20-12)15-8-10-16(11-9-15)27(24,25)26/h4-11H,1-3H3,(H,24,25,26)