3-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]-2H-phthalazine-1,4-dione Openeye Name: 3-[(5E)-5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-thiazol-2-yl]-2H-phthalazine-1,4-dione CAS Name: 3-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-thiazolyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2H-phthalazine-1,4-dione Traditional Name: 3-[(5E)-4-keto-5-veratrylidene-2-thiazolin-2-yl]-2H-phthalazine-1,4-quinone Formula: C20H15N3O5S MolecularWeight: 409.4152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)N3C(=O)C4=CC=CC=C4C(=O)N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\C(=O)N=C(S2)N3C(=O)C4=CC=CC=C4C(=O)N3)OC

InChI

InChI=1S/C20H15N3O5S/c1-27-14-8-7-11(9-15(14)28-2)10-16-18(25)21-20(29-16)23-19(26)13-6-4-3-5-12(13)17(24)22-23/h3-10H,1-2H3,(H,22,24)/b16-10+