2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-(2,4,5-trimethylphenyl)-1-propanone IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-1-(2,4,5-trimethylphenyl)propan-1-one Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)SC2=CC=CC=[N+]2[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)SC2=CC=CC=[N+]2[O-])C)C

InChI

InChI=1S/C17H19NO2S/c1-11-9-13(3)15(10-12(11)2)17(19)14(4)21-16-7-5-6-8-18(16)20/h5-10,14H,1-4H3