2-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3-benzothiazole

Systemtic Name: 2-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3-benzothiazole Openeye Name: 2-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3-benzothiazole CAS Name: 2-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3-benzothiazole IUPAC Name: 2-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3-benzothiazole Traditional Name: 2-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3-benzothiazole Formula: C17H17NO2S2 MolecularWeight: 331.45238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C17H17NO2S2/c1-12-7-8-14(11-13(12)2)22(19,20)10-9-17-18-15-5-3-4-6-16(15)21-17/h3-8,11H,9-10H2,1-2H3