(4E)-5-methyl-4-[5-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-ylidene]-2-(4-methylquinolin-2-yl)pyrazol-3-one

Systemtic Name: (4E)-5-methyl-4-[5-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-ylidene]-2-(4-methylquinolin-2-yl)pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[5-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-ylidene]-2-(4-methyl-2-quinolyl)pyrazol-3-one CAS Name: (4E)-5-methyl-4-[5-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-ylidene]-2-(4-methyl-2-quinolinyl)-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[5-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-ylidene]-2-(4-methylquinolin-2-yl)pyrazol-3-one Traditional Name: (4E)-5-methyl-4-[5-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)-3-pyrazolin-3-ylidene]-2-(4-methyl-2-quinolyl)-2-pyrazolin-3-one Formula: C26H22N6OS MolecularWeight: 466.55748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C(=C4C(=NN(C4=O)C5=NC6=CC=CC=C6C(=C5)C)C)C=C(N3)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3/C(=C/4\C(=NN(C4=O)C5=NC6=CC=CC=C6C(=C5)C)C)/C=C(N3)C

InChI

InChI=1S/C26H22N6OS/c1-14-9-10-20-22(11-14)34-26(28-20)31-21(13-16(3)29-31)24-17(4)30-32(25(24)33)23-12-15(2)18-7-5-6-8-19(18)27-23/h5-13,29H,1-4H3/b24-21+