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

Systemtic Name: (1-butylsulfanyl-3-phenoxy-propan-2-yl) 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfanylmethyl)-2-phenoxy-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-phenoxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-phenoxypropan-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-[(butylthio)methyl]-2-phenoxy-ethyl] ester Formula: C33H32N2O3S2 MolecularWeight: 568.74878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H32N2O3S2/c1-2-3-19-39-23-28(22-37-27-17-11-6-12-18-27)38-32(36)24-40-33-30(21-34)29(25-13-7-4-8-14-25)20-31(35-33)26-15-9-5-10-16-26/h4-18,20,28H,2-3,19,22-24H2,1H3