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

Systemtic Name: N-[bis(azanyl)methylidene]-4-ethynyl-2-methyl-5-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-4-ethynyl-2-methyl-5-methylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-4-ethynyl-2-methyl-5-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-4-ethynyl-2-methyl-5-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-4-ethynyl-5-mesyl-2-methyl-benzamide Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C#C)S(=O)(=O)C)C(=O)N=C(N)N

Isomeric SMILES

CC1=C(C=C(C(=C1)C#C)S(=O)(=O)C)C(=O)N=C(N)N

InChI

InChI=1S/C12H13N3O3S/c1-4-8-5-7(2)9(11(16)15-12(13)14)6-10(8)19(3,17)18/h1,5-6H,2-3H3,(H4,13,14,15,16)