N-(3-oxidanylpyridin-1-ium-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide

Systemtic Name: N-(3-oxidanylpyridin-1-ium-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide Openeye Name: N-(3-hydroxypyridin-1-ium-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide CAS Name: N-(3-hydroxy-2-pyridin-1-iumyl)-5-[(phenylthio)methyl]-2-furancarboxamide IUPAC Name: N-(3-hydroxypyridin-1-ium-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide Traditional Name: N-(3-hydroxypyridin-1-ium-2-yl)-5-[(phenylthio)methyl]-2-furamide Formula: C17H15N2O3S+ MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=CC=C(O2)C(=O)NC3=C(C=CC=[NH+]3)O

Isomeric SMILES

C1=CC=C(C=C1)SCC2=CC=C(O2)C(=O)NC3=C(C=CC=[NH+]3)O

InChI

InChI=1S/C17H14N2O3S/c20-14-7-4-10-18-16(14)19-17(21)15-9-8-12(22-15)11-23-13-5-2-1-3-6-13/h1-10,20H,11H2,(H,18,19,21)/p+1