(5-chloranyl-1-methyl-imidazol-2-yl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H16ClN3O2S/c1-24-18(21)11-23-19(24)12-26-20(25)16-4-2-3-5-17(16)27-13-15-8-6-14(10-22)7-9-15/h2-9,11H,12-13H2,1H3