S-[1-(6-phenoxypyridin-2-yl)ethyl] 2-(4-bromophenyl)-3-methyl-butanethioate

Systemtic Name: S-[1-(6-phenoxypyridin-2-yl)ethyl] 2-(4-bromophenyl)-3-methyl-butanethioate Openeye Name: S-[1-(6-phenoxy-2-pyridyl)ethyl] 2-(4-bromophenyl)-3-methyl-butanethioate CAS Name: 2-(4-bromophenyl)-3-methylbutanethioic acid S-[1-(6-phenoxy-2-pyridinyl)ethyl] ester IUPAC Name: S-[1-(6-phenoxypyridin-2-yl)ethyl] 2-(4-bromophenyl)-3-methylbutanethioate Traditional Name: 2-(4-bromophenyl)-3-methyl-butanethioic acid S-[1-(6-phenoxy-2-pyridyl)ethyl] ester Formula: C24H24BrNO2S MolecularWeight: 470.42186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Br)C(=O)SC(C)C2=NC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)Br)C(=O)SC(C)C2=NC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C24H24BrNO2S/c1-16(2)23(18-12-14-19(25)15-13-18)24(27)29-17(3)21-10-7-11-22(26-21)28-20-8-5-4-6-9-20/h4-17,23H,1-3H3