4-methylbenzenesulfonate; [(Z)-(2-methyl-1,2-thiazol-3-ylidene)methyl]-oxidanylidene-azanium

Systemtic Name: 4-methylbenzenesulfonate; [(Z)-(2-methyl-1,2-thiazol-3-ylidene)methyl]-oxidanylidene-azanium Openeye Name: 4-methylbenzenesulfonate; [(Z)-(2-methylisothiazol-3-ylidene)methyl]-oxo-ammonium CAS Name: 4-methylbenzenesulfonate; [(Z)-(2-methyl-3-isothiazolylidene)methyl]-oxoammonium IUPAC Name: 4-methylbenzenesulfonate; [(Z)-(2-methyl-1,2-thiazol-3-ylidene)methyl]-oxoazanium Traditional Name: keto-[(Z)-(2-methyl-4-isothiazolin-3-ylidene)methyl]ammonium tosylate Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(=C[NH+]=O)C=CS1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1/C(=C\[NH+]=O)/C=CS1

InChI

InChI=1S/C7H8O3S.C5H6N2OS/c1-6-2-4-7(5-3-6)11(8,9)10;1-7-5(4-6-8)2-3-9-7/h2-5H,1H3,(H,8,9,10);2-4H,1H3/b;5-4-