4-[(2-bromanyl-4,5-dimethoxy-phenyl)methylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one

Systemtic Name: 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one Openeye Name: 4-[(2-bromo-4,5-dimethoxy-phenyl)methylene]-5-methyl-2-(4-phenylthiazol-2-yl)pyrazol-3-one CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-5-methyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolone IUPAC Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzylidene)-5-methyl-2-(4-phenylthiazol-2-yl)-2-pyrazolin-3-one Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OC)OC)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OC)OC)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H18BrN3O3S/c1-13-16(9-15-10-19(28-2)20(29-3)11-17(15)23)21(27)26(25-13)22-24-18(12-30-22)14-7-5-4-6-8-14/h4-12H,1-3H3