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

Systemtic Name: 4-[(4Z)-4-[(4-bromophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-4-[(4-bromophenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-4-[(4-bromophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-4-[(4-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-4-(4-bromobenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C17H13BrN2O4S MolecularWeight: 421.26512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)Br)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)Br)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C17H13BrN2O4S/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/h2-10H,1H3,(H,22,23,24)/b16-10-