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

Systemtic Name: 2-[(2S)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-[(1S)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-[[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl]thio]-3-(5-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-[[(1S)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl]thio]-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C23H19BrN3O2S+ MolecularWeight: 481.38486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrN3O2S/c1-14-7-12-20(25-13-14)27-22(29)18-5-3-4-6-19(18)26-23(27)30-15(2)21(28)16-8-10-17(24)11-9-16/h3-13,15H,1-2H3/p+1/t15-/m0/s1