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

Systemtic Name: 1,3-bis(butylsulfanyl)propan-2-yl 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: [2-butylsulfanyl-1-(butylsulfanylmethyl)ethyl] 2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-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-phenyl-6-thiophen-2-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]thio]acetic acid [2-(butylthio)-1-[(butylthio)methyl]ethyl] ester Formula: C29H34N2O2S4 MolecularWeight: 570.85246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(CSCCCC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCSCC(CSCCCC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C29H34N2O2S4/c1-3-5-14-34-19-23(20-35-15-6-4-2)33-28(32)21-37-29-25(18-30)24(22-11-8-7-9-12-22)17-26(31-29)27-13-10-16-36-27/h7-13,16-17,23H,3-6,14-15,19-21H2,1-2H3