2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methylquinolin-2-yl)-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methylquinolin-2-yl)-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methyl-2-quinolyl)-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methyl-2-quinolinyl)-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methylquinolin-2-yl)-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methyl-2-quinolyl)-3-pyrazolin-3-one Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)C3=C(NN(C3=O)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)C3=C(NN(C3=O)C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C21H16N4OS/c1-12-11-17(22-15-8-4-3-7-14(12)15)19-13(2)24-25(20(19)26)21-23-16-9-5-6-10-18(16)27-21/h3-11,24H,1-2H3