2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(2-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C17H15BrFNO3S MolecularWeight: 412.273303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC2=CC3=C(C=C2Br)OCO3)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC2=CC3=C(C=C2Br)OCO3)F

InChI

InChI=1S/C17H15BrFNO3S/c1-10-2-3-14(13(19)4-10)20-17(21)8-24-7-11-5-15-16(6-12(11)18)23-9-22-15/h2-6H,7-9H2,1H3,(H,20,21)