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

Systemtic Name: 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid; pyridine Openeye Name: 4-[(4Z)-4-[(4-chlorophenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid; pyridine CAS Name: 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid; pyridine IUPAC Name: 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid; pyridine Traditional Name: 4-[(4Z)-4-(4-chlorobenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid; pyridine Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC=NC=C1

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC=NC=C1

InChI

InChI=1S/C17H13ClN2O4S.C5H5N/c1-11-16(10-12-2-4-13(18)5-3-12)17(21)20(19-11)14-6-8-15(9-7-14)25(22,23)24;1-2-4-6-5-3-1/h2-10H,1H3,(H,22,23,24);1-5H/b16-10-;