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

Systemtic Name: N-[bis(azanyl)methylidene]-2-cyano-4-imidazol-1-yl-5-methylsulfonyl-benzamide Openeye Name: 2-cyano-N-(diaminomethylene)-4-imidazol-1-yl-5-methylsulfonyl-benzamide CAS Name: 2-cyano-N-(diaminomethylidene)-4-(1-imidazolyl)-5-methylsulfonylbenzamide IUPAC Name: 2-cyano-N-(diaminomethylidene)-4-imidazol-1-yl-5-methylsulfonylbenzamide Traditional Name: 2-cyano-N-(diaminomethylene)-4-imidazol-1-yl-5-mesyl-benzamide Formula: C13H12N6O3S MolecularWeight: 332.33778

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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)C#N)N2C=CN=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)C#N)N2C=CN=C2

InChI

InChI=1S/C13H12N6O3S/c1-23(21,22)11-5-9(12(20)18-13(15)16)8(6-14)4-10(11)19-3-2-17-7-19/h2-5,7H,1H3,(H4,15,16,18,20)