1-methyl-N-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]pyrrole-2-carboxamide

Systemtic Name: 1-methyl-N-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]pyrrole-2-carboxamide Openeye Name: 1-methyl-N-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrrole-2-carboxamide CAS Name: 1-methyl-N-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-N-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrrole-2-carboxamide Traditional Name: 1-methyl-N-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]pyrrole-2-carboxamide Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H13N3O3S/c1-15-7-4-5-10(15)13(18)14-11(17)9-20-12-6-2-3-8-16(12)19/h2-8H,9H2,1H3,(H,14,17,18)