3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-5-methyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-5-methyl-1,2-thiazole-4-carbonitrile Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]-5-methyl-isothiazole-4-carbonitrile CAS Name: 3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-5-methyl-4-isothiazolecarbonitrile IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-5-methyl-1,2-thiazole-4-carbonitrile Traditional Name: 3-(2-chloro-6-fluoro-benzyl)sulfonyl-5-methyl-isothiazole-4-carbonitrile Formula: C12H8ClFN2O2S2 MolecularWeight: 330.785523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NS1)S(=O)(=O)CC2=C(C=CC=C2Cl)F)C#N

Isomeric SMILES

CC1=C(C(=NS1)S(=O)(=O)CC2=C(C=CC=C2Cl)F)C#N

InChI

InChI=1S/C12H8ClFN2O2S2/c1-7-8(5-15)12(16-19-7)20(17,18)6-9-10(13)3-2-4-11(9)14/h2-4H,6H2,1H3