(4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C21H15BrCl2O2S MolecularWeight: 482.2176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl)Cl)Br

InChI

InChI=1S/C21H15BrCl2O2S/c1-13-10-16(22)11-19(24)20(13)26-21(25)15-4-2-14(3-5-15)12-27-18-8-6-17(23)7-9-18/h2-11H,12H2,1H3