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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O2S/c1-8(2)18-15(20)11(6-17-18)14(19)10-4-5-12-13(9(10)3)16-7-21-12/h4-8,17H,1-3H3