[1-butylsulfanyl-3-(4-chloranylphenoxy)propan-2-yl] 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: [1-butylsulfanyl-3-(4-chloranylphenoxy)propan-2-yl] 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfanylmethyl)-2-(4-chlorophenoxy)ethyl] 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]acetic acid [1-(butylthio)-3-(4-chlorophenoxy)propan-2-yl] ester IUPAC Name: [1-butylsulfanyl-3-(4-chlorophenoxy)propan-2-yl] 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetic acid [1-[(butylthio)methyl]-2-(4-chlorophenoxy)ethyl] ester Formula: C23H27ClN2O3S2 MolecularWeight: 479.05508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O3S2/c1-4-5-10-30-14-20(13-28-19-8-6-18(24)7-9-19)29-22(27)15-31-23-21(12-25)16(2)11-17(3)26-23/h6-9,11,20H,4-5,10,13-15H2,1-3H3