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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-[(3-bromophenyl)methylthio]-3-(5-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-[(3-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=C4)Br

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC4=CC(=CC=C4)Br

InChI

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