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

Systemtic Name: 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one Openeye Name: 4-[(2-benzyloxy-5-bromo-phenyl)methylene]-5-methyl-2-(4-phenylthiazol-2-yl)pyrazol-3-one CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-5-methyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolone IUPAC Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one Traditional Name: 4-(2-benzoxy-5-bromo-benzylidene)-5-methyl-2-(4-phenylthiazol-2-yl)-2-pyrazolin-3-one Formula: C27H20BrN3O2S MolecularWeight: 530.4356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H20BrN3O2S/c1-18-23(15-21-14-22(28)12-13-25(21)33-16-19-8-4-2-5-9-19)26(32)31(30-18)27-29-24(17-34-27)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3