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

Systemtic Name: 4-[(2-ethyl-4-methyl-1,3-benzothiazol-5-yl)carbonyl]-2-methyl-1H-pyrazol-3-one Openeye Name: 4-(2-ethyl-4-methyl-1,3-benzothiazole-5-carbonyl)-2-methyl-1H-pyrazol-3-one CAS Name: 4-[(2-ethyl-4-methyl-1,3-benzothiazol-5-yl)-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-(2-ethyl-4-methyl-1,3-benzothiazole-5-carbonyl)-2-methyl-1H-pyrazol-3-one Traditional Name: 4-(2-ethyl-4-methyl-1,3-benzothiazole-5-carbonyl)-2-methyl-3-pyrazolin-3-one Formula: C15H15N3O2S MolecularWeight: 301.3635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(S1)C=CC(=C2C)C(=O)C3=CNN(C3=O)C

Isomeric SMILES

CCC1=NC2=C(S1)C=CC(=C2C)C(=O)C3=CNN(C3=O)C

InChI

InChI=1S/C15H15N3O2S/c1-4-12-17-13-8(2)9(5-6-11(13)21-12)14(19)10-7-16-18(3)15(10)20/h5-7,16H,4H2,1-3H3