4-[(3-chloranyl-4-methyl-2H-1,3-benzothiazol-5-yl)carbonyl]-2-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[(3-chloranyl-4-methyl-2H-1,3-benzothiazol-5-yl)carbonyl]-2-methyl-1H-pyrazol-3-one Openeye Name: 4-(3-chloro-4-methyl-2H-1,3-benzothiazole-5-carbonyl)-2-methyl-1H-pyrazol-3-one CAS Name: 4-[(3-chloro-4-methyl-2H-1,3-benzothiazol-5-yl)-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-(3-chloro-4-methyl-2H-1,3-benzothiazole-5-carbonyl)-2-methyl-1H-pyrazol-3-one Traditional Name: 4-(3-chloro-4-methyl-2H-1,3-benzothiazole-5-carbonyl)-2-methyl-3-pyrazolin-3-one Formula: C13H12ClN3O2S MolecularWeight: 309.77128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(CS2)Cl)C(=O)C3=CNN(C3=O)C

Isomeric SMILES

CC1=C(C=CC2=C1N(CS2)Cl)C(=O)C3=CNN(C3=O)C

InChI

InChI=1S/C13H12ClN3O2S/c1-7-8(3-4-10-11(7)17(14)6-20-10)12(18)9-5-15-16(2)13(9)19/h3-5,15H,6H2,1-2H3