2-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-1,3-benzothiazole CAS Name: 2-[2-(2,5-dimethylphenyl)sulfonylethylthio]-1,3-benzothiazole IUPAC Name: 2-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[2-(2,5-dimethylphenyl)sulfonylethylthio]-1,3-benzothiazole Formula: C17H17NO2S3 MolecularWeight: 363.51738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H17NO2S3/c1-12-7-8-13(2)16(11-12)23(19,20)10-9-21-17-18-14-5-3-4-6-15(14)22-17/h3-8,11H,9-10H2,1-2H3