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

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-(5-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C22H17BrN3O2S+ MolecularWeight: 467.35828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3O2S/c1-14-6-11-20(24-12-14)26-21(28)17-4-2-3-5-18(17)25-22(26)29-13-19(27)15-7-9-16(23)10-8-15/h2-12H,13H2,1H3/p+1