2-(4-chloranyl-3-methyl-phenyl)-6-(trifluoromethylsulfonyl)-5H-1-benzothiophen-4-one

Systemtic Name: 2-(4-chloranyl-3-methyl-phenyl)-6-(trifluoromethylsulfonyl)-5H-1-benzothiophen-4-one Openeye Name: 2-(4-chloro-3-methyl-phenyl)-6-(trifluoromethylsulfonyl)-5H-benzothiophen-4-one CAS Name: 2-(4-chloro-3-methylphenyl)-6-(trifluoromethylsulfonyl)-5H-1-benzothiophen-4-one IUPAC Name: 2-(4-chloro-3-methylphenyl)-6-(trifluoromethylsulfonyl)-5H-1-benzothiophen-4-one Traditional Name: 2-(4-chloro-3-methyl-phenyl)-6-triflyl-5H-benzothiophen-4-one Formula: C16H10ClF3O3S2 MolecularWeight: 406.82701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC3=C(S2)C=C(CC3=O)S(=O)(=O)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC3=C(S2)C=C(CC3=O)S(=O)(=O)C(F)(F)F)Cl

InChI

InChI=1S/C16H10ClF3O3S2/c1-8-4-9(2-3-12(8)17)14-7-11-13(21)5-10(6-15(11)24-14)25(22,23)16(18,19)20/h2-4,6-7H,5H2,1H3