1-[5-chloranyl-3-[(3,4-dimethylphenyl)sulfanylmethyl]-2-oxidanyl-phenyl]ethanone

Systemtic Name: 1-[5-chloranyl-3-[(3,4-dimethylphenyl)sulfanylmethyl]-2-oxidanyl-phenyl]ethanone Openeye Name: 1-[5-chloro-3-[(3,4-dimethylphenyl)sulfanylmethyl]-2-hydroxy-phenyl]ethanone CAS Name: 1-[5-chloro-3-[[(3,4-dimethylphenyl)thio]methyl]-2-hydroxyphenyl]ethanone IUPAC Name: 1-[5-chloro-3-[(3,4-dimethylphenyl)sulfanylmethyl]-2-hydroxyphenyl]ethanone Traditional Name: 1-[5-chloro-3-[[(3,4-dimethylphenyl)thio]methyl]-2-hydroxy-phenyl]ethanone Formula: C17H17ClO2S MolecularWeight: 320.83368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC2=C(C(=CC(=C2)Cl)C(=O)C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC2=C(C(=CC(=C2)Cl)C(=O)C)O)C

InChI

InChI=1S/C17H17ClO2S/c1-10-4-5-15(6-11(10)2)21-9-13-7-14(18)8-16(12(3)19)17(13)20/h4-8,20H,9H2,1-3H3