2-[(4-methylsulfinylphenyl)methyl]-5-(3-pyridin-4-ylprop-1-ynyl)isoindole-1,3-dione

Systemtic Name: 2-[(4-methylsulfinylphenyl)methyl]-5-(3-pyridin-4-ylprop-1-ynyl)isoindole-1,3-dione Openeye Name: 2-[(4-methylsulfinylphenyl)methyl]-5-[3-(4-pyridyl)prop-1-ynyl]isoindoline-1,3-dione CAS Name: 2-[(4-methylsulfinylphenyl)methyl]-5-(3-pyridin-4-ylprop-1-ynyl)isoindole-1,3-dione IUPAC Name: 2-[(4-methylsulfinylphenyl)methyl]-5-(3-pyridin-4-ylprop-1-ynyl)isoindole-1,3-dione Traditional Name: 2-(4-methylsulfinylbenzyl)-5-[3-(4-pyridyl)prop-1-ynyl]isoindoline-1,3-quinone Formula: C24H18N2O3S MolecularWeight: 414.47632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C#CCC4=CC=NC=C4

Isomeric SMILES

CS(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C#CCC4=CC=NC=C4

InChI

InChI=1S/C24H18N2O3S/c1-30(29)20-8-5-19(6-9-20)16-26-23(27)21-10-7-18(15-22(21)24(26)28)4-2-3-17-11-13-25-14-12-17/h5-15H,3,16H2,1H3