4-chloranyl-2-methyl-5-methylsulfonyl-1,2-thiazol-3-one

Systemtic Name: 4-chloranyl-2-methyl-5-methylsulfonyl-1,2-thiazol-3-one Openeye Name: 4-chloro-2-methyl-5-methylsulfonyl-isothiazol-3-one CAS Name: 4-chloro-2-methyl-5-methylsulfonyl-3-isothiazolone IUPAC Name: 4-chloro-2-methyl-5-methylsulfonyl-1,2-thiazol-3-one Traditional Name: 4-chloro-5-mesyl-2-methyl-4-isothiazolin-3-one Formula: C5H6ClNO3S2 MolecularWeight: 227.68904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(S1)S(=O)(=O)C)Cl

Isomeric SMILES

CN1C(=O)C(=C(S1)S(=O)(=O)C)Cl

InChI

InChI=1S/C5H6ClNO3S2/c1-7-4(8)3(6)5(11-7)12(2,9)10/h1-2H3