2-[bis(azanyl)methylidene]-1,3-benzothiazol-6-one; methanesulfonate

Systemtic Name: 2-[bis(azanyl)methylidene]-1,3-benzothiazol-6-one; methanesulfonate Openeye Name: 2-(diaminomethylene)-1,3-benzothiazol-6-one; methanesulfonate CAS Name: 2-(diaminomethylidene)-1,3-benzothiazol-6-one; methanesulfonate IUPAC Name: 2-(diaminomethylidene)-1,3-benzothiazol-6-one; methanesulfonate Traditional Name: 2-(diaminomethylene)-1,3-benzothiazol-6-one mesylate Formula: C9H10N3O4S2- MolecularWeight: 288.3234

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC2=NC(=C(N)N)SC2=CC1=O

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC2=NC(=C(N)N)SC2=CC1=O

InChI

InChI=1S/C8H7N3OS.CH4O3S/c9-7(10)8-11-5-2-1-4(12)3-6(5)13-8;1-5(2,3)4/h1-3H,9-10H2;1H3,(H,2,3,4)/p-1