(E)-[5-(3,4-dimethylphenyl)-3-methyl-1H-imidazol-2-ylidene]-nitroso-methanamine; methanesulfonate

Systemtic Name: (E)-[5-(3,4-dimethylphenyl)-3-methyl-1H-imidazol-2-ylidene]-nitroso-methanamine; methanesulfonate Openeye Name: (E)-[5-(3,4-dimethylphenyl)-3-methyl-1H-imidazol-2-ylidene]-nitroso-methanamine; methanesulfonate CAS Name: (E)-[5-(3,4-dimethylphenyl)-3-methyl-1H-imidazol-2-ylidene]-nitrosomethanamine; methanesulfonate IUPAC Name: (E)-[5-(3,4-dimethylphenyl)-3-methyl-1H-imidazol-2-ylidene]-nitrosomethanamine; methanesulfonate Traditional Name: [(E)-[4-(3,4-dimethylphenyl)-1-methyl-4-imidazolin-2-ylidene]-nitroso-methyl]amine mesylate Formula: C14H19N4O4S- MolecularWeight: 339.39006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CN(C(=C(N)N=O)N2)C)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CN(/C(=C(\N)/N=O)/N2)C)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C13H16N4O.CH4O3S/c1-8-4-5-10(6-9(8)2)11-7-17(3)13(15-11)12(14)16-18;1-5(2,3)4/h4-7,15H,14H2,1-3H3;1H3,(H,2,3,4)/p-1/b13-12+;