N-(3-oxidanylpyridin-1-ium-2-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanamide

Systemtic Name: N-(3-oxidanylpyridin-1-ium-2-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanamide Openeye Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-(2-thienylmethylsulfanyl)acetamide CAS Name: N-(3-hydroxy-2-pyridin-1-iumyl)-2-(thiophen-2-ylmethylthio)acetamide IUPAC Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide Traditional Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-(2-thenylthio)acetamide Formula: C12H13N2O2S2+ MolecularWeight: 281.37382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)NC(=O)CSCC2=CC=CS2)O

Isomeric SMILES

C1=CC(=C([NH+]=C1)NC(=O)CSCC2=CC=CS2)O

InChI

InChI=1S/C12H12N2O2S2/c15-10-4-1-5-13-12(10)14-11(16)8-17-7-9-3-2-6-18-9/h1-6,15H,7-8H2,(H,13,14,16)/p+1