N-methyl-4-oxidanidyl-1-oxidanylidene-3-(pyridin-4-ylsulfanylmethyl)quinoxalin-1-ium-2-carboxamide

Systemtic Name: N-methyl-4-oxidanidyl-1-oxidanylidene-3-(pyridin-4-ylsulfanylmethyl)quinoxalin-1-ium-2-carboxamide Openeye Name: N-methyl-4-oxido-1-oxo-3-(4-pyridylsulfanylmethyl)quinoxalin-1-ium-2-carboxamide CAS Name: N-methyl-4-oxido-1-oxo-3-[(pyridin-4-ylthio)methyl]-2-quinoxalin-1-iumcarboxamide IUPAC Name: N-methyl-4-oxido-1-oxo-3-(pyridin-4-ylsulfanylmethyl)quinoxalin-1-ium-2-carboxamide Traditional Name: 1-keto-N-methyl-4-oxido-3-[(4-pyridylthio)methyl]quinoxalin-1-ium-2-carboxamide Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CSC3=CC=NC=C3

Isomeric SMILES

CNC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CSC3=CC=NC=C3

InChI

InChI=1S/C16H14N4O3S/c1-17-16(21)15-14(10-24-11-6-8-18-9-7-11)19(22)12-4-2-3-5-13(12)20(15)23/h2-9H,10H2,1H3,(H,17,21)