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

Systemtic Name: 2-[(2S)-1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-[(1S)-2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-[[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]thio]-3-(4-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-[[(1S)-2-(3-chlorophenyl)-2-keto-1-methyl-ethyl]thio]-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C23H19ClN3O2S+ MolecularWeight: 436.93386

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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=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN3O2S/c1-14-10-11-25-20(12-14)27-22(29)18-8-3-4-9-19(18)26-23(27)30-15(2)21(28)16-6-5-7-17(24)13-16/h3-13,15H,1-2H3/p+1/t15-/m0/s1