2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-3-(5-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C24H21FN3O2S+ MolecularWeight: 434.505843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H20FN3O2S/c1-16-8-13-22(26-15-16)28-23(30)19-5-2-3-6-20(19)27-24(28)31-14-4-7-21(29)17-9-11-18(25)12-10-17/h2-3,5-6,8-13,15H,4,7,14H2,1H3/p+1