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

Systemtic Name: 4-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one Openeye Name: 4-[(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-5-methyl-2-(4-phenylthiazol-2-yl)pyrazol-3-one CAS Name: 4-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-methyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolone IUPAC Name: 4-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one Traditional Name: 4-(3-bromo-5-ethoxy-4-propargyloxy-benzylidene)-5-methyl-2-(4-phenylthiazol-2-yl)-2-pyrazolin-3-one Formula: C25H20BrN3O3S MolecularWeight: 522.4136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C)Br)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C)Br)OCC#C

InChI

InChI=1S/C25H20BrN3O3S/c1-4-11-32-23-20(26)13-17(14-22(23)31-5-2)12-19-16(3)28-29(24(19)30)25-27-21(15-33-25)18-9-7-6-8-10-18/h1,6-10,12-15H,5,11H2,2-3H3