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

Systemtic Name: N-(furan-2-ylmethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(2-furylmethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(2-furanylmethyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(furan-2-ylmethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(2-furfuryl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H14N2O3S/c1-10(19-12-6-2-3-7-15(12)17)13(16)14-9-11-5-4-8-18-11/h2-8,10H,9H2,1H3,(H,14,16)