N-[methyl-(4-methylphenyl)-oxidanylidene-$l^{6}-sulfanylidene]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide

Systemtic Name: N-[methyl-(4-methylphenyl)-oxidanylidene-$l^{6}-sulfanylidene]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide Openeye Name: N-[methyl-oxo-(p-tolyl)-$l^{6}-sulfanylidene]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide CAS Name: N-[methyl-(4-methylphenyl)-oxo-$l^{6}-sulfanylidene]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide IUPAC Name: N-[methyl-(4-methylphenyl)-oxo-$l^{6}-sulfanylidene]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide Traditional Name: N-[keto-methyl-(p-tolyl)persulfuranylidene]-1-oxido-benzofurazan-1-ium-5-carboxamide Formula: C15H13N3O4S MolecularWeight: 331.34642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=NC(=O)C2=CC3=NO[N+](=C3C=C2)[O-])(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=NC(=O)C2=CC3=NO[N+](=C3C=C2)[O-])(=O)C

InChI

InChI=1S/C15H13N3O4S/c1-10-3-6-12(7-4-10)23(2,21)17-15(19)11-5-8-14-13(9-11)16-22-18(14)20/h3-9H,1-2H3/t23-/m1/s1