4-methylbenzenesulfonic acid; 2-methyl-4-(2-phenylethynyl)-1,3-thiazole

Systemtic Name: 4-methylbenzenesulfonic acid; 2-methyl-4-(2-phenylethynyl)-1,3-thiazole Openeye Name: 4-methylbenzenesulfonic acid; 2-methyl-4-(2-phenylethynyl)thiazole CAS Name: 4-methylbenzenesulfonic acid; 2-methyl-4-(2-phenylethynyl)thiazole IUPAC Name: 4-methylbenzenesulfonic acid; 2-methyl-4-(2-phenylethynyl)-1,3-thiazole Traditional Name: 2-methyl-4-(2-phenylethynyl)thiazole; tosylic acid Formula: C19H17NO3S2 MolecularWeight: 371.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NC(=CS1)C#CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NC(=CS1)C#CC2=CC=CC=C2

InChI

InChI=1S/C12H9NS.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/h2-6,9H,1H3;2-5H,1H3,(H,8,9,10)