N-[bis(azanyl)methylidene]-4-cyano-2-ethynyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-cyano-2-ethynyl-5-methylsulfonyl-benzamide Openeye Name: 4-cyano-N-(diaminomethylene)-2-ethynyl-5-methylsulfonyl-benzamide CAS Name: 4-cyano-N-(diaminomethylidene)-2-ethynyl-5-methylsulfonylbenzamide IUPAC Name: 4-cyano-N-(diaminomethylidene)-2-ethynyl-5-methylsulfonylbenzamide Traditional Name: 4-cyano-N-(diaminomethylene)-2-ethynyl-5-mesyl-benzamide Formula: C12H10N4O3S MolecularWeight: 290.2978

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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#C)C#N

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)C#C)C#N

InChI

InChI=1S/C12H10N4O3S/c1-3-7-4-8(6-13)10(20(2,18)19)5-9(7)11(17)16-12(14)15/h1,4-5H,2H3,(H4,14,15,16,17)