3-[(4-chlorophenyl)sulfanyl-phenyl-methyl]pentane-2,4-dione

Systemtic Name: 3-[(4-chlorophenyl)sulfanyl-phenyl-methyl]pentane-2,4-dione Openeye Name: 3-[(4-chlorophenyl)sulfanyl-phenyl-methyl]pentane-2,4-dione CAS Name: 3-[[(4-chlorophenyl)thio]-phenylmethyl]pentane-2,4-dione IUPAC Name: 3-[(4-chlorophenyl)sulfanyl-phenylmethyl]pentane-2,4-dione Traditional Name: 3-[[(4-chlorophenyl)thio]-phenyl-methyl]pentane-2,4-dione Formula: C18H17ClO2S MolecularWeight: 332.84438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=CC=C1)SC2=CC=C(C=C2)Cl)C(=O)C

Isomeric SMILES

CC(=O)C(C(C1=CC=CC=C1)SC2=CC=C(C=C2)Cl)C(=O)C

InChI

InChI=1S/C18H17ClO2S/c1-12(20)17(13(2)21)18(14-6-4-3-5-7-14)22-16-10-8-15(19)9-11-16/h3-11,17-18H,1-2H3