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

Systemtic Name: 4-[(2,4-dimethyl-1,3-benzothiazol-5-yl)carbonyl]-2-methyl-1H-pyrazol-3-one Openeye Name: 4-(2,4-dimethyl-1,3-benzothiazole-5-carbonyl)-2-methyl-1H-pyrazol-3-one CAS Name: 4-[(2,4-dimethyl-1,3-benzothiazol-5-yl)-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-(2,4-dimethyl-1,3-benzothiazole-5-carbonyl)-2-methyl-1H-pyrazol-3-one Traditional Name: 4-(2,4-dimethyl-1,3-benzothiazole-5-carbonyl)-2-methyl-3-pyrazolin-3-one Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)C)C(=O)C3=CNN(C3=O)C

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)C)C(=O)C3=CNN(C3=O)C

InChI

InChI=1S/C14H13N3O2S/c1-7-9(4-5-11-12(7)16-8(2)20-11)13(18)10-6-15-17(3)14(10)19/h4-6,15H,1-3H3