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

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethynyl-4-imidazol-1-yl-5-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethynyl-4-imidazol-1-yl-5-methylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethynyl-4-(1-imidazolyl)-5-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethynyl-4-imidazol-1-yl-5-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethynyl-4-imidazol-1-yl-5-mesyl-benzamide Formula: C14H13N5O3S MolecularWeight: 331.34972

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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=CN=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O3S/c1-3-9-6-11(19-5-4-17-8-19)12(23(2,21)22)7-10(9)13(20)18-14(15)16/h1,4-8H,2H3,(H4,15,16,18,20)