(1-butylsulfanyl-3-phenoxy-propan-2-yl) 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: (1-butylsulfanyl-3-phenoxy-propan-2-yl) 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(butylsulfanylmethyl)-2-phenoxy-ethyl] 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]acetic acid [1-(butylthio)-3-phenoxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-phenoxypropan-2-yl) 2-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]acetic acid [1-[(butylthio)methyl]-2-phenoxy-ethyl] ester Formula: C33H31BrN2O3S2 MolecularWeight: 647.64484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COC1=CC=CC=C1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCSCC(COC1=CC=CC=C1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

InChI

InChI=1S/C33H31BrN2O3S2/c1-2-3-18-40-22-28(21-38-27-12-8-5-9-13-27)39-32(37)23-41-33-30(20-35)29(24-10-6-4-7-11-24)19-31(36-33)25-14-16-26(34)17-15-25/h4-17,19,28H,2-3,18,21-23H2,1H3