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

Systemtic Name: 1,3-bis(butylsulfanyl)propan-2-yl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [2-butylsulfanyl-1-(butylsulfanylmethyl)ethyl] 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]acetic acid 1,3-bis(butylthio)propan-2-yl ester IUPAC Name: 1,3-bis(butylsulfanyl)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 [2-(butylthio)-1-[(butylthio)methyl]ethyl] ester Formula: C21H32N2O2S3 MolecularWeight: 440.68598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(CSCCCC)OC(=O)CSC1=C(C(=CC(=N1)C)C)C#N

Isomeric SMILES

CCCCSCC(CSCCCC)OC(=O)CSC1=C(C(=CC(=N1)C)C)C#N

InChI

InChI=1S/C21H32N2O2S3/c1-5-7-9-26-13-18(14-27-10-8-6-2)25-20(24)15-28-21-19(12-22)16(3)11-17(4)23-21/h11,18H,5-10,13-15H2,1-4H3