N-[bis(azanyl)methylidene]-3-(2-cyanocyclopenten-1-yl)benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-3-(2-cyanocyclopenten-1-yl)benzamide; methanesulfonate Openeye Name: 3-(2-cyanocyclopenten-1-yl)-N-(diaminomethylene)benzamide; methanesulfonate CAS Name: 3-(2-cyano-1-cyclopentenyl)-N-(diaminomethylidene)benzamide; methanesulfonate IUPAC Name: 3-(2-cyanocyclopenten-1-yl)-N-(diaminomethylidene)benzamide; methanesulfonate Traditional Name: 3-(2-cyanocyclopenten-1-yl)-N-(diaminomethylene)benzamide mesylate Formula: C15H17N4O4S- MolecularWeight: 349.38488

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1CC(=C(C1)C2=CC(=CC=C2)C(=O)N=C(N)N)C#N

Isomeric SMILES

CS(=O)(=O)[O-].C1CC(=C(C1)C2=CC(=CC=C2)C(=O)N=C(N)N)C#N

InChI

InChI=1S/C14H14N4O.CH4O3S/c15-8-11-5-2-6-12(11)9-3-1-4-10(7-9)13(19)18-14(16)17;1-5(2,3)4/h1,3-4,7H,2,5-6H2,(H4,16,17,18,19);1H3,(H,2,3,4)/p-1