methyl 2-[(4-chlorophenyl)methylsulfanyl]-3-methyl-imidazole-4-carboxylate

Systemtic Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-3-methyl-imidazole-4-carboxylate Openeye Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-3-methyl-imidazole-4-carboxylate CAS Name: 2-[(4-chlorophenyl)methylthio]-3-methyl-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thio]-3-methyl-imidazole-4-carboxylic acid methyl ester Formula: C13H13ClN2O2S MolecularWeight: 296.77252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CN1C(=CN=C1SCC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C13H13ClN2O2S/c1-16-11(12(17)18-2)7-15-13(16)19-8-9-3-5-10(14)6-4-9/h3-7H,8H2,1-2H3