2-[(2-bromophenyl)methylsulfanyl]-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-[(2-bromophenyl)methylsulfanyl]-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-[(2-bromophenyl)methylsulfanyl]-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-[(2-bromophenyl)methylthio]-3-(5-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[(2-bromophenyl)methylsulfanyl]-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-[(2-bromobenzyl)thio]-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C21H17BrN3OS+ MolecularWeight: 439.34818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC4=CC=CC=C4Br

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC4=CC=CC=C4Br

InChI

InChI=1S/C21H16BrN3OS/c1-14-10-11-19(23-12-14)25-20(26)16-7-3-5-9-18(16)24-21(25)27-13-15-6-2-4-8-17(15)22/h2-12H,13H2,1H3/p+1