2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-[[(1S)-1-(4-fluorophenyl)ethyl]thio]-3-(4-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-[[(1S)-1-(4-fluorophenyl)ethyl]thio]-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C22H19FN3OS+ MolecularWeight: 392.469163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)S[C@@H](C)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3OS/c1-14-11-12-24-20(13-14)26-21(27)18-5-3-4-6-19(18)25-22(26)28-15(2)16-7-9-17(23)10-8-16/h3-13,15H,1-2H3/p+1/t15-/m0/s1