(5E)-2-[(2,6-dimethylphenyl)amino]-5-[[1-(phenylmethyl)pyrazol-4-yl]methylidene]-1,3-thiazol-4-one

Systemtic Name: (5E)-2-[(2,6-dimethylphenyl)amino]-5-[[1-(phenylmethyl)pyrazol-4-yl]methylidene]-1,3-thiazol-4-one Openeye Name: (5E)-5-[(1-benzylpyrazol-4-yl)methylene]-2-(2,6-dimethylanilino)thiazol-4-one CAS Name: (5E)-2-(2,6-dimethylanilino)-5-[[1-(phenylmethyl)-4-pyrazolyl]methylidene]-4-thiazolone IUPAC Name: (5E)-5-[(1-benzylpyrazol-4-yl)methylidene]-2-(2,6-dimethylanilino)-1,3-thiazol-4-one Traditional Name: (5E)-5-[(1-benzylpyrazol-4-yl)methylene]-2-(2,6-dimethylanilino)-2-thiazolin-4-one Formula: C22H20N4OS MolecularWeight: 388.4854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=NC(=O)C(=CC3=CN(N=C3)CC4=CC=CC=C4)S2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=NC(=O)/C(=C\C3=CN(N=C3)CC4=CC=CC=C4)/S2

InChI

InChI=1S/C22H20N4OS/c1-15-7-6-8-16(2)20(15)24-22-25-21(27)19(28-22)11-18-12-23-26(14-18)13-17-9-4-3-5-10-17/h3-12,14H,13H2,1-2H3,(H,24,25,27)/b19-11+