2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-1,3-benzothiazole CAS Name: 2-[2-(4-tert-butylphenyl)sulfonylethylthio]-1,3-benzothiazole IUPAC Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[2-(4-tert-butylphenyl)sulfonylethylthio]-1,3-benzothiazole Formula: C19H21NO2S3 MolecularWeight: 391.57054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21NO2S3/c1-19(2,3)14-8-10-15(11-9-14)25(21,22)13-12-23-18-20-16-6-4-5-7-17(16)24-18/h4-11H,12-13H2,1-3H3