6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(4-fluorophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-2-[(4-fluorobenzyl)thio]-1H-pyrimidin-4-one Formula: C22H20FN3O2S MolecularWeight: 409.476503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN3O2S/c23-17-9-7-15(8-10-17)14-29-22-24-18(12-20(27)25-22)13-21(28)26-11-3-5-16-4-1-2-6-19(16)26/h1-2,4,6-10,12H,3,5,11,13-14H2,(H,24,25,27)