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

Systemtic Name: (1-butylsulfanyl-3-phenoxy-propan-2-yl) 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(butylsulfanylmethyl)-2-phenoxy-ethyl] 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid [1-(butylthio)-3-phenoxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-phenoxypropan-2-yl) 2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]acetic acid [1-[(butylthio)methyl]-2-phenoxy-ethyl] ester Formula: C34H34N2O3S2 MolecularWeight: 582.77536

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H34N2O3S2/c1-3-4-19-40-23-29(22-38-28-13-9-6-10-14-28)39-33(37)24-41-34-31(21-35)30(26-11-7-5-8-12-26)20-32(36-34)27-17-15-25(2)16-18-27/h5-18,20,29H,3-4,19,22-24H2,1-2H3