3-[(4-methylsulfonylphenyl)methyl]-6-[3-(3-pyridin-4-ylphenyl)prop-1-ynyl]-1H-quinolin-4-one

Systemtic Name: 3-[(4-methylsulfonylphenyl)methyl]-6-[3-(3-pyridin-4-ylphenyl)prop-1-ynyl]-1H-quinolin-4-one Openeye Name: 3-[(4-methylsulfonylphenyl)methyl]-6-[3-[3-(4-pyridyl)phenyl]prop-1-ynyl]-1H-quinolin-4-one CAS Name: 3-[(4-methylsulfonylphenyl)methyl]-6-[3-(3-pyridin-4-ylphenyl)prop-1-ynyl]-1H-quinolin-4-one IUPAC Name: 3-[(4-methylsulfonylphenyl)methyl]-6-[3-(3-pyridin-4-ylphenyl)prop-1-ynyl]-1H-quinolin-4-one Traditional Name: 3-(4-mesylbenzyl)-6-[3-[3-(4-pyridyl)phenyl]prop-1-ynyl]-4-quinolone Formula: C31H24N2O3S MolecularWeight: 504.59886

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC2=CNC3=C(C2=O)C=C(C=C3)C#CCC4=CC=CC(=C4)C5=CC=NC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC2=CNC3=C(C2=O)C=C(C=C3)C#CCC4=CC=CC(=C4)C5=CC=NC=C5

InChI

InChI=1S/C31H24N2O3S/c1-37(35,36)28-11-8-24(9-12-28)19-27-21-33-30-13-10-23(20-29(30)31(27)34)5-2-4-22-6-3-7-26(18-22)25-14-16-32-17-15-25/h3,6-18,20-21H,4,19H2,1H3,(H,33,34)