4-[4-[(3-bromanyl-4-methoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[4-[(3-bromanyl-4-methoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[4-[(3-bromo-4-methoxy-phenyl)methylene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[4-[(3-bromo-4-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[4-[(3-bromo-4-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[4-(3-bromo-4-methoxy-benzylidene)-5-keto-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzenesulfonamide Formula: C18H13BrF3N3O4S MolecularWeight: 504.27773

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)Br

InChI

InChI=1S/C18H13BrF3N3O4S/c1-29-15-7-2-10(9-14(15)19)8-13-16(18(20,21)22)24-25(17(13)26)11-3-5-12(6-4-11)30(23,27)28/h2-9H,1H3,(H2,23,27,28)