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

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-4-ethynyl-5-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-4-ethynyl-5-methylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-4-ethynyl-5-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-4-ethynyl-5-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-4-ethynyl-5-mesyl-benzamide Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C#C)S(=O)(=O)C)C(=O)N=C(N)N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C#C)S(=O)(=O)C)C(=O)N=C(N)N

InChI

InChI=1S/C13H15N3O3S/c1-4-8-6-9(5-2)11(20(3,18)19)7-10(8)12(17)16-13(14)15/h2,6-7H,4H2,1,3H3,(H4,14,15,16,17)