(4-cyanophenyl)methyl 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: (4-cyanophenyl)methyl 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: (4-cyanophenyl)methyl 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid (4-cyanobenzyl) ester Formula: C16H12ClNO2S MolecularWeight: 317.78998

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H12ClNO2S/c1-21-13-6-7-15(17)14(8-13)16(19)20-10-12-4-2-11(9-18)3-5-12/h2-8H,10H2,1H3