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

Systemtic Name: 2-[(2S)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-[(1S)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-[[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]thio]-3-(4-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-[[(1S)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]thio]-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C25H21N4O2S+ MolecularWeight: 441.52484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SC(C)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)S[C@@H](C)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H20N4O2S/c1-15-11-12-26-22(13-15)29-24(31)18-8-4-6-10-21(18)28-25(29)32-16(2)23(30)19-14-27-20-9-5-3-7-17(19)20/h3-14,16H,1-2H3,(H,27,30)/p+1/t16-/m0/s1