2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-3-(4-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C21H16ClFN3OS+ MolecularWeight: 412.887643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H15ClFN3OS/c1-13-8-9-24-19(10-13)26-20(27)16-4-2-3-5-18(16)25-21(26)28-12-14-6-7-15(23)11-17(14)22/h2-11H,12H2,1H3/p+1