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

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethynyl-5-methylsulfonyl-4-(4-oxidanylidenepyridin-1-yl)benzamide Openeye Name: N-(diaminomethylene)-2-ethynyl-5-methylsulfonyl-4-(4-oxo-1-pyridyl)benzamide CAS Name: N-(diaminomethylidene)-2-ethynyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide IUPAC Name: N-(diaminomethylidene)-2-ethynyl-5-methylsulfonyl-4-(4-oxopyridin-1-yl)benzamide Traditional Name: N-(diaminomethylene)-2-ethynyl-4-(4-keto-1-pyridyl)-5-mesyl-benzamide Formula: C16H14N4O4S MolecularWeight: 358.37176

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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)N2C=CC(=O)C=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4S/c1-3-10-8-13(20-6-4-11(21)5-7-20)14(25(2,23)24)9-12(10)15(22)19-16(17)18/h1,4-9H,2H3,(H4,17,18,19,22)