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

Systemtic Name: 2-methyl-4-[(4-methyl-2-methylsulfonyl-1,3-benzothiazol-5-yl)carbonyl]-1H-pyrazol-3-one Openeye Name: 2-methyl-4-(4-methyl-2-methylsulfonyl-1,3-benzothiazole-5-carbonyl)-1H-pyrazol-3-one CAS Name: 2-methyl-4-[(4-methyl-2-methylsulfonyl-1,3-benzothiazol-5-yl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-methyl-4-(4-methyl-2-methylsulfonyl-1,3-benzothiazole-5-carbonyl)-1H-pyrazol-3-one Traditional Name: 4-(2-mesyl-4-methyl-1,3-benzothiazole-5-carbonyl)-2-methyl-3-pyrazolin-3-one Formula: C14H13N3O4S2 MolecularWeight: 351.40072

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4S2/c1-7-8(12(18)9-6-15-17(2)13(9)19)4-5-10-11(7)16-14(22-10)23(3,20)21/h4-6,15H,1-3H3