methyl 4-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl]sulfanylbenzoate

Systemtic Name: methyl 4-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl]sulfanylbenzoate Openeye Name: methyl 4-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl]sulfanylbenzoate CAS Name: 4-[[2-(1-imidazolyl)-1-(2,4,6-trimethylphenyl)ethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl]sulfanylbenzoate Traditional Name: 4-[(2-imidazol-1-yl-1-mesityl-ethyl)thio]benzoic acid methyl ester Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H24N2O2S/c1-15-11-16(2)21(17(3)12-15)20(13-24-10-9-23-14-24)27-19-7-5-18(6-8-19)22(25)26-4/h5-12,14,20H,13H2,1-4H3