(4-bromanyl-3-methyl-phenyl) [1-(4-tert-butylphenyl)-2-imidazol-1-yl-ethyl]sulfanylmethanoate

Systemtic Name: (4-bromanyl-3-methyl-phenyl) [1-(4-tert-butylphenyl)-2-imidazol-1-yl-ethyl]sulfanylmethanoate Openeye Name: (4-bromo-3-methyl-phenyl) [1-(4-tert-butylphenyl)-2-imidazol-1-yl-ethyl]sulfanylformate CAS Name: [[1-(4-tert-butylphenyl)-2-(1-imidazolyl)ethyl]thio]formic acid (4-bromo-3-methylphenyl) ester IUPAC Name: (4-bromo-3-methylphenyl) [1-(4-tert-butylphenyl)-2-imidazol-1-ylethyl]sulfanylformate Traditional Name: [[1-(4-tert-butylphenyl)-2-imidazol-1-yl-ethyl]thio]formic acid (4-bromo-3-methyl-phenyl) ester Formula: C23H25BrN2O2S MolecularWeight: 473.4258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN2O2S/c1-16-13-19(9-10-20(16)24)28-22(27)29-21(14-26-12-11-25-15-26)17-5-7-18(8-6-17)23(2,3)4/h5-13,15,21H,14H2,1-4H3