N-[bis(azanyl)methylidene]-3-(furan-3-yl)benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-3-(furan-3-yl)benzamide; methanesulfonate Openeye Name: N-(diaminomethylene)-3-(3-furyl)benzamide; methanesulfonate CAS Name: N-(diaminomethylidene)-3-(3-furanyl)benzamide; methanesulfonate IUPAC Name: N-(diaminomethylidene)-3-(furan-3-yl)benzamide; methanesulfonate Traditional Name: N-(diaminomethylene)-3-(3-furyl)benzamide mesylate Formula: C13H14N3O5S- MolecularWeight: 324.33236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O2.CH4O3S/c13-12(14)15-11(16)9-3-1-2-8(6-9)10-4-5-17-7-10;1-5(2,3)4/h1-7H,(H4,13,14,15,16);1H3,(H,2,3,4)/p-1