N-(furan-2-ylmethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-furylmethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2-furanylmethyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-furfuryl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C12H12N2O3S MolecularWeight: 264.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NCC2=CC=CO2)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NCC2=CC=CO2)[O-]

InChI

InChI=1S/C12H12N2O3S/c15-11(13-8-10-4-3-7-17-10)9-18-12-5-1-2-6-14(12)16/h1-7H,8-9H2,(H,13,15)