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

Systemtic Name: 1,3-bis(butylsulfanyl)propan-2-yl 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [2-butylsulfanyl-1-(butylsulfanylmethyl)ethyl] 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]acetic acid 1,3-bis(butylthio)propan-2-yl ester IUPAC Name: 1,3-bis(butylsulfanyl)propan-2-yl 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetic acid [2-(butylthio)-1-[(butylthio)methyl]ethyl] ester Formula: C31H36N2O2S3 MolecularWeight: 564.82474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(CSCCCC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCSCC(CSCCCC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C31H36N2O2S3/c1-3-5-17-36-21-26(22-37-18-6-4-2)35-30(34)23-38-31-28(20-32)27(24-13-9-7-10-14-24)19-29(33-31)25-15-11-8-12-16-25/h7-16,19,26H,3-6,17-18,21-23H2,1-2H3