4-methylbenzenesulfonic acid; 2-methylsulfanyl-1,3-benzothiazole

Systemtic Name: 4-methylbenzenesulfonic acid; 2-methylsulfanyl-1,3-benzothiazole Openeye Name: 4-methylbenzenesulfonic acid; 2-methylsulfanyl-1,3-benzothiazole CAS Name: 4-methylbenzenesulfonic acid; 2-(methylthio)-1,3-benzothiazole IUPAC Name: 4-methylbenzenesulfonic acid; 2-methylsulfanyl-1,3-benzothiazole Traditional Name: 2-(methylthio)-1,3-benzothiazole; tosylic acid Formula: C15H15NO3S3 MolecularWeight: 353.4795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C8H7NS2.C7H8O3S/c1-10-8-9-6-4-2-3-5-7(6)11-8;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3;2-5H,1H3,(H,8,9,10)