[1-butylsulfanyl-3-(4-chloranylphenoxy)propan-2-yl] 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: [1-butylsulfanyl-3-(4-chloranylphenoxy)propan-2-yl] 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfanylmethyl)-2-(4-chlorophenoxy)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-(butylthio)-3-(4-chlorophenoxy)propan-2-yl] ester IUPAC Name: [1-butylsulfanyl-3-(4-chlorophenoxy)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 [1-[(butylthio)methyl]-2-(4-chlorophenoxy)ethyl] ester Formula: C31H29ClN2O3S3 MolecularWeight: 609.22156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COC1=CC=C(C=C1)Cl)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCSCC(COC1=CC=C(C=C1)Cl)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C31H29ClN2O3S3/c1-2-3-15-38-20-25(19-36-24-13-11-23(32)12-14-24)37-30(35)21-40-31-27(18-33)26(22-8-5-4-6-9-22)17-28(34-31)29-10-7-16-39-29/h4-14,16-17,25H,2-3,15,19-21H2,1H3