N-[bis(azanyl)methylidene]-2-ethynyl-5-methylsulfonyl-4-pyridin-3-yl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethynyl-5-methylsulfonyl-4-pyridin-3-yl-benzamide Openeye Name: N-(diaminomethylene)-2-ethynyl-5-methylsulfonyl-4-(3-pyridyl)benzamide CAS Name: N-(diaminomethylidene)-2-ethynyl-5-methylsulfonyl-4-(3-pyridinyl)benzamide IUPAC Name: N-(diaminomethylidene)-2-ethynyl-5-methylsulfonyl-4-pyridin-3-ylbenzamide Traditional Name: N-(diaminomethylene)-2-ethynyl-5-mesyl-4-(3-pyridyl)benzamide Formula: C16H14N4O3S MolecularWeight: 342.37236

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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)C2=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3S/c1-3-10-7-12(11-5-4-6-19-9-11)14(24(2,22)23)8-13(10)15(21)20-16(17)18/h1,4-9H,2H3,(H4,17,18,20,21)