azanium 4-chloranyl-3-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate

Systemtic Name: azanium 4-chloranyl-3-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate Openeye Name: ammonium 4-chloro-3-[(4Z)-4-[(4-dimethylaminophenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonate CAS Name: ammonium 4-chloro-3-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonate IUPAC Name: azanium 4-chloro-3-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate Traditional Name: ammonium 4-chloro-3-[(4Z)-4-[4-(dimethylamino)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]besylate Formula: C19H21ClN4O4S MolecularWeight: 436.91244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=C(C=CC(=C3)S(=O)(=O)[O-])Cl.[NH4+]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)N(C)C)C3=C(C=CC(=C3)S(=O)(=O)[O-])Cl.[NH4+]

InChI

InChI=1S/C19H18ClN3O4S.H3N/c1-12-16(10-13-4-6-14(7-5-13)22(2)3)19(24)23(21-12)18-11-15(28(25,26)27)8-9-17(18)20;/h4-11H,1-3H3,(H,25,26,27);1H3/b16-10-;