(5E)-4-methyl-5-(3-nitrophenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide

Systemtic Name: (5E)-4-methyl-5-(3-nitrophenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide Openeye Name: (5E)-4-methyl-5-(3-nitrophenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide CAS Name: (5E)-4-methyl-5-(3-nitrophenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide IUPAC Name: (5E)-4-methyl-5-(3-nitrophenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide Traditional Name: (5E)-4-methyl-5-(3-nitrophenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide Formula: C9H9N5O6S3 MolecularWeight: 379.39266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])SC(=N1)S(=O)(=O)N

Isomeric SMILES

CN1/C(=N\S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])/SC(=N1)S(=O)(=O)N

InChI

InChI=1S/C9H9N5O6S3/c1-13-8(21-9(11-13)22(10,17)18)12-23(19,20)7-4-2-3-6(5-7)14(15)16/h2-5H,1H3,(H2,10,17,18)/b12-8+