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

Systemtic Name: N-[bis(azanyl)methylidene]-3-(2-cyanothiophen-3-yl)benzamide; methanesulfonate Openeye Name: 3-(2-cyano-3-thienyl)-N-(diaminomethylene)benzamide; methanesulfonate CAS Name: 3-(2-cyano-3-thiophenyl)-N-(diaminomethylidene)benzamide; methanesulfonate IUPAC Name: 3-(2-cyanothiophen-3-yl)-N-(diaminomethylidene)benzamide; methanesulfonate Traditional Name: 3-(2-cyano-3-thienyl)-N-(diaminomethylene)benzamide mesylate Formula: C14H13N4O4S2- MolecularWeight: 365.40742

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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=C(SC=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4OS.CH4O3S/c14-7-11-10(4-5-19-11)8-2-1-3-9(6-8)12(18)17-13(15)16;1-5(2,3)4/h1-6H,(H4,15,16,17,18);1H3,(H,2,3,4)/p-1