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

Systemtic Name: [1-(4-tert-butylphenoxy)-3-butylsulfanyl-propan-2-yl] 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-[(4-tert-butylphenoxy)methyl]-2-butylsulfanyl-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-(4-tert-butylphenoxy)-3-(butylthio)propan-2-yl] ester IUPAC Name: [1-(4-tert-butylphenoxy)-3-butylsulfanylpropan-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-[(4-tert-butylphenoxy)methyl]-2-(butylthio)ethyl] ester Formula: C38H42N2O3S2 MolecularWeight: 638.88168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H42N2O3S2/c1-6-7-21-44-25-32(24-42-31-19-17-30(18-20-31)38(3,4)5)43-36(41)26-45-37-34(23-39)33(28-11-9-8-10-12-28)22-35(40-37)29-15-13-27(2)14-16-29/h8-20,22,32H,6-7,21,24-26H2,1-5H3