5-chloranyl-3-methyl-2-methylsulfanyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate

Systemtic Name: 5-chloranyl-3-methyl-2-methylsulfanyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate Openeye Name: 5-chloro-3-methyl-2-methylsulfanyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate CAS Name: 5-chloro-3-methyl-2-(methylthio)-2H-1,3-benzothiazole; 4-methylbenzenesulfonate IUPAC Name: 5-chloro-3-methyl-2-methylsulfanyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate Traditional Name: 5-chloro-3-methyl-2-(methylthio)-2H-1,3-benzothiazole tosylate Formula: C16H17ClNO3S3- MolecularWeight: 402.95908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(SC2=C1C=C(C=C2)Cl)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(SC2=C1C=C(C=C2)Cl)SC

InChI

InChI=1S/C9H10ClNS2.C7H8O3S/c1-11-7-5-6(10)3-4-8(7)13-9(11)12-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,9H,1-2H3;2-5H,1H3,(H,8,9,10)/p-1