(4,5-dimethyl-1,2-thiazol-2-ium-2-yl)-(3-nitrophenyl)sulfonyl-azanide

Systemtic Name: (4,5-dimethyl-1,2-thiazol-2-ium-2-yl)-(3-nitrophenyl)sulfonyl-azanide Openeye Name: (4,5-dimethylisothiazol-2-ium-2-yl)-(3-nitrophenyl)sulfonyl-azanide CAS Name: (4,5-dimethyl-2-isothiazol-2-iumyl)-(3-nitrophenyl)sulfonylazanide IUPAC Name: (4,5-dimethyl-1,2-thiazol-2-ium-2-yl)-(3-nitrophenyl)sulfonylazanide Traditional Name: (4,5-dimethylisothiazol-2-ium-2-yl)-(3-nitrophenyl)sulfonyl-azanide Formula: C11H11N3O4S2 MolecularWeight: 313.35274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(S[N+](=C1)[N-]S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(S[N+](=C1)[N-]S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C11H11N3O4S2/c1-8-7-13(19-9(8)2)12-20(17,18)11-5-3-4-10(6-11)14(15)16/h3-7H,1-2H3