2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone Formula: C18H16ClNOS2 MolecularWeight: 361.90874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)C)C

InChI

InChI=1S/C18H16ClNOS2/c1-10-6-12(3)14(7-11(10)2)16(21)9-22-18-20-15-8-13(19)4-5-17(15)23-18/h4-8H,9H2,1-3H3