[3-(2,4-diethylphenyl)-5-(3,5-diethylphenyl)-4-sulfanylidene-pyridin-1-yl] ethanoate

Systemtic Name: [3-(2,4-diethylphenyl)-5-(3,5-diethylphenyl)-4-sulfanylidene-pyridin-1-yl] ethanoate Openeye Name: [3-(2,4-diethylphenyl)-5-(3,5-diethylphenyl)-4-thioxo-1-pyridyl] acetate CAS Name: acetic acid [3-(2,4-diethylphenyl)-5-(3,5-diethylphenyl)-4-sulfanylidene-1-pyridinyl] ester IUPAC Name: [3-(2,4-diethylphenyl)-5-(3,5-diethylphenyl)-4-sulfanylidenepyridin-1-yl] acetate Traditional Name: acetic acid [3-(2,4-diethylphenyl)-5-(3,5-diethylphenyl)-4-thioxo-1-pyridyl] ester Formula: C27H31NO2S MolecularWeight: 433.60554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C2=CN(C=C(C2=S)C3=CC(=CC(=C3)CC)CC)OC(=O)C)CC

Isomeric SMILES

CCC1=CC(=C(C=C1)C2=CN(C=C(C2=S)C3=CC(=CC(=C3)CC)CC)OC(=O)C)CC

InChI

InChI=1S/C27H31NO2S/c1-6-19-10-11-24(22(9-4)13-19)26-17-28(30-18(5)29)16-25(27(26)31)23-14-20(7-2)12-21(8-3)15-23/h10-17H,6-9H2,1-5H3