1,3-bis(butylsulfanyl)propan-2-yl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 1,3-bis(butylsulfanyl)propan-2-yl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-butylsulfanyl-1-(butylsulfanylmethyl)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid 1,3-bis(butylthio)propan-2-yl ester IUPAC Name: 1,3-bis(butylsulfanyl)propan-2-yl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(butylthio)-1-[(butylthio)methyl]ethyl] ester Formula: C19H32N2O2S3 MolecularWeight: 416.66458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(CSCCCC)OC(=O)CSC1=NC(=CC(=N1)C)C

Isomeric SMILES

CCCCSCC(CSCCCC)OC(=O)CSC1=NC(=CC(=N1)C)C

InChI

InChI=1S/C19H32N2O2S3/c1-5-7-9-24-12-17(13-25-10-8-6-2)23-18(22)14-26-19-20-15(3)11-16(4)21-19/h11,17H,5-10,12-14H2,1-4H3