N,N-dimethyl-2-[4-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-[[3-(4-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanylmethyl]thiazol-2-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[[[3-(4-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]methyl]-2-thiazolyl]acetamide IUPAC Name: N,N-dimethyl-2-[4-[[3-(4-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide Traditional Name: 2-[4-[[[4-keto-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]methyl]thiazol-2-yl]-N,N-dimethyl-acetamide Formula: C22H22N5O2S2+ MolecularWeight: 452.57238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC4=CSC(=N4)CC(=O)N(C)C

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC4=CSC(=N4)CC(=O)N(C)C

InChI

InChI=1S/C22H21N5O2S2/c1-14-8-9-23-18(10-14)27-21(29)16-6-4-5-7-17(16)25-22(27)31-13-15-12-30-19(24-15)11-20(28)26(2)3/h4-10,12H,11,13H2,1-3H3/p+1