1,3-bis(butylsulfinyl)propan-2-yl 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: 1,3-bis(butylsulfinyl)propan-2-yl 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [2-butylsulfinyl-1-(butylsulfinylmethyl)ethyl] 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]acetic acid 1,3-bis(butylsulfinyl)propan-2-yl ester IUPAC Name: 1,3-bis(butylsulfinyl)propan-2-yl 2-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]acetic acid [2-butylsulfinyl-1-(butylsulfinylmethyl)ethyl] ester Formula: C31H35BrN2O4S3 MolecularWeight: 675.7196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CC(CS(=O)CCCC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCS(=O)CC(CS(=O)CCCC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

InChI

InChI=1S/C31H35BrN2O4S3/c1-3-5-16-40(36)21-26(22-41(37)17-6-4-2)38-30(35)20-39-31-28(19-33)27(23-10-8-7-9-11-23)18-29(34-31)24-12-14-25(32)15-13-24/h7-15,18,26H,3-6,16-17,20-22H2,1-2H3