N-(2-methyl-6-propan-2-yl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S/c1-12(2)15-9-7-8-13(3)17(15)19-18(21)14(4)23-16-10-5-6-11-20(16)22/h5-12,14H,1-4H3,(H,19,21)