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

Systemtic Name: (1-butylsulfanyl-3-prop-2-enoxy-propan-2-yl) 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(allyloxymethyl)-2-butylsulfanyl-ethyl] 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-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-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]acetic acid [1-(allyloxymethyl)-2-(butylthio)ethyl] ester Formula: C31H34N2O3S2 MolecularWeight: 546.74326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N2O3S2/c1-4-6-17-37-21-26(20-35-16-5-2)36-30(34)22-38-31-28(19-32)27(24-10-8-7-9-11-24)18-29(33-31)25-14-12-23(3)13-15-25/h5,7-15,18,26H,2,4,6,16-17,20-22H2,1,3H3