(1-butylsulfanyl-3-phenylmethoxy-propan-2-yl) 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (1-butylsulfanyl-3-phenylmethoxy-propan-2-yl) 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(benzyloxymethyl)-2-butylsulfanyl-ethyl] 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]acetic acid [1-(butylthio)-3-phenylmethoxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-phenylmethoxypropan-2-yl) 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetic acid [1-(benzoxymethyl)-2-(butylthio)ethyl] ester Formula: C34H34N2O3S2 MolecularWeight: 582.77536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COCC1=CC=CC=C1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCSCC(COCC1=CC=CC=C1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C34H34N2O3S2/c1-2-3-19-40-24-29(23-38-22-26-13-7-4-8-14-26)39-33(37)25-41-34-31(21-35)30(27-15-9-5-10-16-27)20-32(36-34)28-17-11-6-12-18-28/h4-18,20,29H,2-3,19,22-25H2,1H3