3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-4-ylprop-1-ynyl)quinazolin-4-one

Systemtic Name: 3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-4-ylprop-1-ynyl)quinazolin-4-one Openeye Name: 3-[(4-methylsulfonylphenyl)methyl]-6-[3-(4-pyridyl)prop-1-ynyl]quinazolin-4-one CAS Name: 3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-4-ylprop-1-ynyl)-4-quinazolinone IUPAC Name: 3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-4-ylprop-1-ynyl)quinazolin-4-one Traditional Name: 3-(4-mesylbenzyl)-6-[3-(4-pyridyl)prop-1-ynyl]quinazolin-4-one Formula: C24H19N3O3S MolecularWeight: 429.49096

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)C#CCC4=CC=NC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)C#CCC4=CC=NC=C4

InChI

InChI=1S/C24H19N3O3S/c1-31(29,30)21-8-5-20(6-9-21)16-27-17-26-23-10-7-19(15-22(23)24(27)28)4-2-3-18-11-13-25-14-12-18/h5-15,17H,3,16H2,1H3