2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(2,5-dimethylphenyl)ethanone IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(2,5-dimethylphenyl)ethanone Formula: C17H14ClNOS2 MolecularWeight: 347.88216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H14ClNOS2/c1-10-3-4-11(2)13(7-10)15(20)9-21-17-19-14-8-12(18)5-6-16(14)22-17/h3-8H,9H2,1-2H3