N-[2,6-bis(bromanyl)-4-methyl-phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-methyl-phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,6-dibromo-4-methyl-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2,6-dibromo-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2,6-dibromo-4-methyl-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H12Br2N2O2S MolecularWeight: 432.13028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=CC=CC=[N+]2[O-])Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=CC=CC=[N+]2[O-])Br

InChI

InChI=1S/C14H12Br2N2O2S/c1-9-6-10(15)14(11(16)7-9)17-12(19)8-21-13-4-2-3-5-18(13)20/h2-7H,8H2,1H3,(H,17,19)