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

Systemtic Name: [1-butylsulfanyl-3-(4-chloranylphenoxy)propan-2-yl] 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfanylmethyl)-2-(4-chlorophenoxy)ethyl] 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-diphenyl-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-4,6-diphenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetic acid [1-[(butylthio)methyl]-2-(4-chlorophenoxy)ethyl] ester Formula: C33H31ClN2O3S2 MolecularWeight: 603.19384

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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=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C33H31ClN2O3S2/c1-2-3-18-40-22-28(21-38-27-16-14-26(34)15-17-27)39-32(37)23-41-33-30(20-35)29(24-10-6-4-7-11-24)19-31(36-33)25-12-8-5-9-13-25/h4-17,19,28H,2-3,18,21-23H2,1H3