4-methylbenzenesulfonate; 4-methyl-2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole

Systemtic Name: 4-methylbenzenesulfonate; 4-methyl-2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole Openeye Name: 4-methylbenzenesulfonate; 4-methyl-2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole CAS Name: 4-methylbenzenesulfonate; 4-methyl-2-(methylthio)-2,3-dihydro-1,3-benzothiazole IUPAC Name: 4-methylbenzenesulfonate; 4-methyl-2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole Traditional Name: 4-methyl-2-(methylthio)-2,3-dihydro-1,3-benzothiazole tosylate Formula: C16H18NO3S3- MolecularWeight: 368.51402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C2C(=CC=C1)SC(N2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C2C(=CC=C1)SC(N2)SC

InChI

InChI=1S/C9H11NS2.C7H8O3S/c1-6-4-3-5-7-8(6)10-9(11-2)12-7;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,9-10H,1-2H3;2-5H,1H3,(H,8,9,10)/p-1