N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C(C)SC2=CC=CC=[N+]2[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C(C)SC2=CC=CC=[N+]2[O-])C

InChI

InChI=1S/C16H17ClN2O2S/c1-10-8-11(2)15(13(17)9-10)18-16(20)12(3)22-14-6-4-5-7-19(14)21/h4-9,12H,1-3H3,(H,18,20)