methyl 4-[[1-[(4-chlorophenyl)methyl]-4,5-dimethyl-imidazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1-[(4-chlorophenyl)methyl]-4,5-dimethyl-imidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-[(4-chlorophenyl)methyl]-4,5-dimethyl-imidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-imidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[(4-chlorophenyl)methyl]-4,5-dimethylimidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-(4-chlorobenzyl)-4,5-dimethyl-imidazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC2=CC=C(C=C2)C(=O)OC)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC2=CC=C(C=C2)C(=O)OC)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H21ClN2O2S/c1-14-15(2)24(12-16-6-10-19(22)11-7-16)21(23-14)27-13-17-4-8-18(9-5-17)20(25)26-3/h4-11H,12-13H2,1-3H3