N-(2,3-dimethylphenyl)-2-[[3-(3-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[[3-(3-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[[3-(3-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[3-(3-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[[3-(3-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[4-keto-3-(3-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]acetamide Formula: C24H23N4O2S+ MolecularWeight: 431.53002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=[N+](C(=O)C3=CC=CC=C3N2)C4=C(C=CC=N4)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=[N+](C(=O)C3=CC=CC=C3N2)C4=C(C=CC=N4)C)C

InChI

InChI=1S/C24H22N4O2S/c1-15-8-6-12-19(17(15)3)26-21(29)14-31-24-27-20-11-5-4-10-18(20)23(30)28(24)22-16(2)9-7-13-25-22/h4-13H,14H2,1-3H3,(H,26,29)/p+1