3,3-dimethyl-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]-1H-quinoxalin-2-one Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C17H17N3O3S/c1-17(2)16(22)18-12-7-3-4-8-13(12)20(17)14(21)11-24-15-9-5-6-10-19(15)23/h3-10H,11H2,1-2H3,(H,18,22)