(1-butylsulfanyl-3-prop-2-enoxy-propan-2-yl) 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: (1-butylsulfanyl-3-prop-2-enoxy-propan-2-yl) 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(allyloxymethyl)-2-butylsulfanyl-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-(butylthio)-3-prop-2-enoxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-prop-2-enoxypropan-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 [1-(allyloxymethyl)-2-(butylthio)ethyl] ester Formula: C30H31BrN2O3S2 MolecularWeight: 611.61274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31BrN2O3S2/c1-3-5-16-37-20-25(19-35-15-4-2)36-29(34)21-38-30-27(18-32)26(22-9-7-6-8-10-22)17-28(33-30)23-11-13-24(31)14-12-23/h4,6-14,17,25H,2-3,5,15-16,19-21H2,1H3