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

Systemtic Name: 4-[(4-methyl-2-methylsulfonyl-1,3-benzothiazol-5-yl)carbonyl]-2-propan-2-yl-1H-pyrazol-3-one Openeye Name: 2-isopropyl-4-(4-methyl-2-methylsulfonyl-1,3-benzothiazole-5-carbonyl)-1H-pyrazol-3-one CAS Name: 4-[(4-methyl-2-methylsulfonyl-1,3-benzothiazol-5-yl)-oxomethyl]-2-propan-2-yl-1H-pyrazol-3-one IUPAC Name: 4-(4-methyl-2-methylsulfonyl-1,3-benzothiazole-5-carbonyl)-2-propan-2-yl-1H-pyrazol-3-one Traditional Name: 2-isopropyl-4-(2-mesyl-4-methyl-1,3-benzothiazole-5-carbonyl)-3-pyrazolin-3-one Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S2/c1-8(2)19-15(21)11(7-17-19)14(20)10-5-6-12-13(9(10)3)18-16(24-12)25(4,22)23/h5-8,17H,1-4H3