N-[bis(azanyl)methylidene]-3-(5-chloranylthiophen-3-yl)benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-3-(5-chloranylthiophen-3-yl)benzamide; methanesulfonate Openeye Name: 3-(5-chloro-3-thienyl)-N-(diaminomethylene)benzamide; methanesulfonate CAS Name: 3-(5-chloro-3-thiophenyl)-N-(diaminomethylidene)benzamide; methanesulfonate IUPAC Name: 3-(5-chlorothiophen-3-yl)-N-(diaminomethylidene)benzamide; methanesulfonate Traditional Name: 3-(5-chloro-3-thienyl)-N-(diaminomethylene)benzamide mesylate Formula: C13H13ClN3O4S2- MolecularWeight: 374.84302

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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=CSC(=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN3OS.CH4O3S/c13-10-5-9(6-18-10)7-2-1-3-8(4-7)11(17)16-12(14)15;1-5(2,3)4/h1-6H,(H4,14,15,16,17);1H3,(H,2,3,4)/p-1