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

Systemtic Name: (1-butylsulfanyl-3-methoxy-propan-2-yl) 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(butylsulfanylmethyl)-2-methoxy-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-methoxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-methoxypropan-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-methoxy-ethyl] ester Formula: C28H29BrN2O3S2 MolecularWeight: 585.57546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCSCC(COC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

InChI

InChI=1S/C28H29BrN2O3S2/c1-3-4-14-35-18-23(17-33-2)34-27(32)19-36-28-25(16-30)24(20-8-6-5-7-9-20)15-26(31-28)21-10-12-22(29)13-11-21/h5-13,15,23H,3-4,14,17-19H2,1-2H3