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

Systemtic Name: (1-butylsulfanyl-3-prop-2-enoxy-propan-2-yl) 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(allyloxymethyl)-2-butylsulfanyl-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-prop-2-enoxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-prop-2-enoxypropan-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-(allyloxymethyl)-2-(butylthio)ethyl] ester Formula: C30H32N2O3S2 MolecularWeight: 532.71668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O3S2/c1-3-5-17-36-21-25(20-34-16-4-2)35-29(33)22-37-30-27(19-31)26(23-12-8-6-9-13-23)18-28(32-30)24-14-10-7-11-15-24/h4,6-15,18,25H,2-3,5,16-17,20-22H2,1H3