(2,5-dimethylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (2,5-dimethylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (2,5-dimethylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (2,5-dimethylphenyl) ester Formula: C22H19ClO2S MolecularWeight: 382.90306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H19ClO2S/c1-15-3-4-16(2)21(13-15)25-22(24)18-7-5-17(6-8-18)14-26-20-11-9-19(23)10-12-20/h3-13H,14H2,1-2H3