N-[bis(azanyl)methylidene]-5-(5-chloranyl-2-oxidanyl-phenyl)furan-2-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-5-(5-chloranyl-2-oxidanyl-phenyl)furan-2-carboxamide; methanesulfonic acid Openeye Name: 5-(5-chloro-2-hydroxy-phenyl)-N-(diaminomethylene)furan-2-carboxamide; methanesulfonic acid CAS Name: 5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)-2-furancarboxamide; methanesulfonic acid IUPAC Name: 5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide; methanesulfonic acid Traditional Name: 5-(5-chloro-2-hydroxy-phenyl)-N-(diaminomethylene)-2-furamide; mesylic acid Formula: C13H14ClN3O6S MolecularWeight: 375.78476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=C(C=C1Cl)C2=CC=C(O2)C(=O)N=C(N)N)O

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=C(C=C1Cl)C2=CC=C(O2)C(=O)N=C(N)N)O

InChI

InChI=1S/C12H10ClN3O3.CH4O3S/c13-6-1-2-8(17)7(5-6)9-3-4-10(19-9)11(18)16-12(14)15;1-5(2,3)4/h1-5,17H,(H4,14,15,16,18);1H3,(H,2,3,4)