2-(1-methyl-5-nitro-imidazol-2-yl)-5-(phenylsulfonyl)-1,3,4-thiadiazole

Systemtic Name: 2-(1-methyl-5-nitro-imidazol-2-yl)-5-(phenylsulfonyl)-1,3,4-thiadiazole Openeye Name: 2-(benzenesulfonyl)-5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazole CAS Name: 2-(benzenesulfonyl)-5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazole IUPAC Name: 2-(benzenesulfonyl)-5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole Traditional Name: 2-besyl-5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazole Formula: C12H9N5O4S2 MolecularWeight: 351.36096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN=C(S2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN=C(S2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O4S2/c1-16-9(17(18)19)7-13-10(16)11-14-15-12(22-11)23(20,21)8-5-3-2-4-6-8/h2-7H,1H3