4-[4-(2,2-dicyanoethenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[4-(2,2-dicyanoethenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[4-(2,2-dicyanovinyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[4-(2,2-dicyanoethenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[4-(2,2-dicyanoethenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[4-(2,2-dicyanovinyl)-5-keto-3-methyl-3-pyrazolin-1-yl]besylic acid Formula: C14H10N4O4S MolecularWeight: 330.3186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)C=C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)C=C(C#N)C#N

InChI

InChI=1S/C14H10N4O4S/c1-9-13(6-10(7-15)8-16)14(19)18(17-9)11-2-4-12(5-3-11)23(20,21)22/h2-6,17H,1H3,(H,20,21,22)