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

Systemtic Name: 4-(benzimidazol-1-yl)-N-[bis(azanyl)methylidene]-2-ethynyl-5-methylsulfonyl-benzamide Openeye Name: 4-(benzimidazol-1-yl)-N-(diaminomethylene)-2-ethynyl-5-methylsulfonyl-benzamide CAS Name: 4-(1-benzimidazolyl)-N-(diaminomethylidene)-2-ethynyl-5-methylsulfonylbenzamide IUPAC Name: 4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-ethynyl-5-methylsulfonylbenzamide Traditional Name: 4-(benzimidazol-1-yl)-N-(diaminomethylene)-2-ethynyl-5-mesyl-benzamide Formula: C18H15N5O3S MolecularWeight: 381.4084

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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=NC3=CC=CC=C32

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)C#C)N2C=NC3=CC=CC=C32

InChI

InChI=1S/C18H15N5O3S/c1-3-11-8-15(23-10-21-13-6-4-5-7-14(13)23)16(27(2,25)26)9-12(11)17(24)22-18(19)20/h1,4-10H,2H3,(H4,19,20,22,24)