4-[2-(cyclohexen-1-yl)ethynyl]-2-methyl-1,3-thiazole; 4-methylbenzenesulfonic acid

Systemtic Name: 4-[2-(cyclohexen-1-yl)ethynyl]-2-methyl-1,3-thiazole; 4-methylbenzenesulfonic acid Openeye Name: 4-[2-(cyclohexen-1-yl)ethynyl]-2-methyl-thiazole; 4-methylbenzenesulfonic acid CAS Name: 4-[2-(1-cyclohexenyl)ethynyl]-2-methylthiazole; 4-methylbenzenesulfonic acid IUPAC Name: 4-[2-(cyclohexen-1-yl)ethynyl]-2-methyl-1,3-thiazole; 4-methylbenzenesulfonic acid Traditional Name: 4-[2-(cyclohexen-1-yl)ethynyl]-2-methyl-thiazole; tosylic acid Formula: C19H21NO3S2 MolecularWeight: 375.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NC(=CS1)C#CC2=CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NC(=CS1)C#CC2=CCCCC2

InChI

InChI=1S/C12H13NS.C7H8O3S/c1-10-13-12(9-14-10)8-7-11-5-3-2-4-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h5,9H,2-4,6H2,1H3;2-5H,1H3,(H,8,9,10)