[3-[4-(2-bromanylprop-2-enylsulfinyl)phenyl]-5-(2,4-dimethylphenyl)-4-sulfanylidene-pyridin-1-yl] ethanoate

Systemtic Name: [3-[4-(2-bromanylprop-2-enylsulfinyl)phenyl]-5-(2,4-dimethylphenyl)-4-sulfanylidene-pyridin-1-yl] ethanoate Openeye Name: [3-[4-(2-bromoallylsulfinyl)phenyl]-5-(2,4-dimethylphenyl)-4-thioxo-1-pyridyl] acetate CAS Name: acetic acid [3-[4-(2-bromoprop-2-enylsulfinyl)phenyl]-5-(2,4-dimethylphenyl)-4-sulfanylidene-1-pyridinyl] ester IUPAC Name: [3-[4-(2-bromoprop-2-enylsulfinyl)phenyl]-5-(2,4-dimethylphenyl)-4-sulfanylidenepyridin-1-yl] acetate Traditional Name: acetic acid [3-[4-(2-bromoallylsulfinyl)phenyl]-5-(2,4-dimethylphenyl)-4-thioxo-1-pyridyl] ester Formula: C24H22BrNO3S2 MolecularWeight: 516.47038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CN(C=C(C2=S)C3=CC=C(C=C3)S(=O)CC(=C)Br)OC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CN(C=C(C2=S)C3=CC=C(C=C3)S(=O)CC(=C)Br)OC(=O)C)C

InChI

InChI=1S/C24H22BrNO3S2/c1-15-5-10-21(16(2)11-15)23-13-26(29-18(4)27)12-22(24(23)30)19-6-8-20(9-7-19)31(28)14-17(3)25/h5-13H,3,14H2,1-2,4H3