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

Systemtic Name: 4-[(4E)-4-[(4-bromophenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4E)-4-[(4-bromophenyl)hydrazono]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4E)-4-[(4-bromophenyl)hydrazinylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4E)-4-[(4-bromophenyl)hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4E)-4-[(4-bromophenyl)hydrazono]-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C16H13BrN4O4S MolecularWeight: 437.26782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)Br)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C16H13BrN4O4S/c1-10-15(19-18-12-4-2-11(17)3-5-12)16(22)21(20-10)13-6-8-14(9-7-13)26(23,24)25/h2-9,18H,1H3,(H,23,24,25)/b19-15+