N-(4-tert-butylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(4-tert-butylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(4-tert-butylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(4-tert-butylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(4-tert-butylphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=CC=CC=[N+]2[O-]

InChI

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