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

Systemtic Name: [1-butylsulfanyl-3-(4-chloranylphenoxy)propan-2-yl] 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(butylsulfanylmethyl)-2-(4-chlorophenoxy)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-(4-chlorophenoxy)propan-2-yl] ester IUPAC Name: [1-butylsulfanyl-3-(4-chlorophenoxy)propan-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-(4-chlorophenoxy)ethyl] ester Formula: C33H30BrClN2O3S2 MolecularWeight: 682.0899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H30BrClN2O3S2/c1-2-3-17-41-21-28(20-39-27-15-13-26(35)14-16-27)40-32(38)22-42-33-30(19-36)29(23-7-5-4-6-8-23)18-31(37-33)24-9-11-25(34)12-10-24/h4-16,18,28H,2-3,17,20-22H2,1H3