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

Systemtic Name: (1-butylsulfanyl-3-propan-2-yloxy-propan-2-yl) 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfanylmethyl)-2-isopropoxy-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-propan-2-yloxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-propan-2-yloxypropan-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-isopropoxy-ethyl] ester Formula: C30H34N2O3S2 MolecularWeight: 534.73256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O3S2/c1-4-5-16-36-20-25(19-34-22(2)3)35-29(33)21-37-30-27(18-31)26(23-12-8-6-9-13-23)17-28(32-30)24-14-10-7-11-15-24/h6-15,17,22,25H,4-5,16,19-21H2,1-3H3