6-[3-(4-fluorophenyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4H-quinazolin-2-one

Systemtic Name: 6-[3-(4-fluorophenyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4H-quinazolin-2-one Openeye Name: 6-[3-(4-fluorophenyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4H-quinazolin-2-one CAS Name: 6-[3-(4-fluorophenyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4H-quinazolin-2-one IUPAC Name: 6-[3-(4-fluorophenyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4H-quinazolin-2-one Traditional Name: 6-[3-(4-fluorophenyl)prop-1-ynyl]-3-(4-mesylbenzyl)-1-methyl-4H-quinazolin-2-one Formula: C26H23FN2O3S MolecularWeight: 462.535823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)S(=O)(=O)C)C=C(C=C2)C#CCC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)S(=O)(=O)C)C=C(C=C2)C#CCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H23FN2O3S/c1-28-25-15-10-20(5-3-4-19-6-11-23(27)12-7-19)16-22(25)18-29(26(28)30)17-21-8-13-24(14-9-21)33(2,31)32/h6-16H,4,17-18H2,1-2H3