(4-ethylphenyl)methyl [1-(4-bromophenyl)-2-imidazol-1-yl-ethyl]sulfanylmethanoate

Systemtic Name: (4-ethylphenyl)methyl [1-(4-bromophenyl)-2-imidazol-1-yl-ethyl]sulfanylmethanoate Openeye Name: (4-ethylphenyl)methyl [1-(4-bromophenyl)-2-imidazol-1-yl-ethyl]sulfanylformate CAS Name: [[1-(4-bromophenyl)-2-(1-imidazolyl)ethyl]thio]formic acid (4-ethylphenyl)methyl ester IUPAC Name: (4-ethylphenyl)methyl [1-(4-bromophenyl)-2-imidazol-1-ylethyl]sulfanylformate Traditional Name: [[1-(4-bromophenyl)-2-imidazol-1-yl-ethyl]thio]formic acid (4-ethylbenzyl) ester Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)COC(=O)SC(CN2C=CN=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)COC(=O)SC(CN2C=CN=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O2S/c1-2-16-3-5-17(6-4-16)14-26-21(25)27-20(13-24-12-11-23-15-24)18-7-9-19(22)10-8-18/h3-12,15,20H,2,13-14H2,1H3