[(5Z)-5-[(4-cyano-1,2-dimethyl-pyrazol-1-ium-3-yl)hydrazinylidene]-4-phenyl-1,3-thiazol-2-ylidene]-methyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: [(5Z)-5-[(4-cyano-1,2-dimethyl-pyrazol-1-ium-3-yl)hydrazinylidene]-4-phenyl-1,3-thiazol-2-ylidene]-methyl-azanium; 4-methylbenzenesulfonate Openeye Name: [(5Z)-5-[(4-cyano-1,2-dimethyl-pyrazol-1-ium-3-yl)hydrazono]-4-phenyl-thiazol-2-ylidene]-methyl-ammonium; 4-methylbenzenesulfonate CAS Name: [(5Z)-5-[(4-cyano-1,2-dimethyl-3-pyrazol-1-iumyl)hydrazinylidene]-4-phenyl-2-thiazolylidene]-methylammonium; 4-methylbenzenesulfonate IUPAC Name: [(5Z)-5-[(4-cyano-1,2-dimethylpyrazol-1-ium-3-yl)hydrazinylidene]-4-phenyl-1,3-thiazol-2-ylidene]-methylazanium; 4-methylbenzenesulfonate Traditional Name: [(5Z)-5-[(4-cyano-1,2-dimethyl-pyrazol-1-ium-3-yl)hydrazono]-4-phenyl-3-thiazolin-2-ylidene]-methyl-ammonium tosylate Formula: C23H24N7O3S2+ MolecularWeight: 510.61176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+]=C1N=C(C(=NNC2=C(C=[N+](N2C)C)C#N)S1)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+]=C1N=C(/C(=N/NC2=C(C=[N+](N2C)C)C#N)/S1)C3=CC=CC=C3

InChI

InChI=1S/C16H15N7S.C7H8O3S/c1-18-16-19-13(11-7-5-4-6-8-11)15(24-16)21-20-14-12(9-17)10-22(2)23(14)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,10H,1-3H3;2-5H,1H3,(H,8,9,10)/p+1/b18-16?,21-15-;