6-methyl-2-(phenylsulfonylsulfanyl)-1,3-benzothiazole

Systemtic Name: 6-methyl-2-(phenylsulfonylsulfanyl)-1,3-benzothiazole Openeye Name: 2-(benzenesulfonylsulfanyl)-6-methyl-1,3-benzothiazole CAS Name: 2-(benzenesulfonylthio)-6-methyl-1,3-benzothiazole IUPAC Name: 2-(benzenesulfonylsulfanyl)-6-methyl-1,3-benzothiazole Traditional Name: 2-(besylthio)-6-methyl-1,3-benzothiazole Formula: C14H11NO2S3 MolecularWeight: 321.43764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)SS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)SS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H11NO2S3/c1-10-7-8-12-13(9-10)18-14(15-12)19-20(16,17)11-5-3-2-4-6-11/h2-9H,1H3