N-[bis(azanyl)methylidene]-4-imidazol-1-yl-5-methylsulfonyl-2-nitro-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-imidazol-1-yl-5-methylsulfonyl-2-nitro-benzamide Openeye Name: N-(diaminomethylene)-4-imidazol-1-yl-5-methylsulfonyl-2-nitro-benzamide CAS Name: N-(diaminomethylidene)-4-(1-imidazolyl)-5-methylsulfonyl-2-nitrobenzamide IUPAC Name: N-(diaminomethylidene)-4-imidazol-1-yl-5-methylsulfonyl-2-nitrobenzamide Traditional Name: N-(diaminomethylene)-4-imidazol-1-yl-5-mesyl-2-nitro-benzamide Formula: C12H12N6O5S MolecularWeight: 352.32588

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)[N+](=O)[O-])N2C=CN=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)[N+](=O)[O-])N2C=CN=C2

InChI

InChI=1S/C12H12N6O5S/c1-24(22,23)10-4-7(11(19)16-12(13)14)8(18(20)21)5-9(10)17-3-2-15-6-17/h2-6H,1H3,(H4,13,14,16,19)