4-bromanyl-N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]benzenesulfonamide Openeye Name: 4-bromo-N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]benzenesulfonamide CAS Name: 4-bromo-N-[(E)-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]benzenesulfonamide IUPAC Name: 4-bromo-N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]benzenesulfonamide Traditional Name: 4-bromo-N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]benzenesulfonamide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN4O2S/c1-13-18(14(2)23(21-13)16-6-4-3-5-7-16)12-20-22-26(24,25)17-10-8-15(19)9-11-17/h3-12,22H,1-2H3/b20-12+