N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-[(1S)-1-methylpropyl]phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H20N2O2S/c1-3-13(2)14-7-9-15(10-8-14)18-16(20)12-22-17-6-4-5-11-19(17)21/h4-11,13H,3,12H2,1-2H3,(H,18,20)/t13-/m0/s1