2,3-bis(butylsulfanyl)propyl 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: 2,3-bis(butylsulfanyl)propyl 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: 2,3-bis(butylsulfanyl)propyl 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 2,3-bis(butylthio)propyl ester IUPAC Name: 2,3-bis(butylsulfanyl)propyl 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 2,3-bis(butylthio)propyl ester Formula: C31H35BrN2O2S3 MolecularWeight: 643.7208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N)SCCCC

Isomeric SMILES

CCCCSCC(COC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N)SCCCC

InChI

InChI=1S/C31H35BrN2O2S3/c1-3-5-16-37-21-26(38-17-6-4-2)20-36-30(35)22-39-31-28(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