N-(2,6-dimethylphenyl)-5-oxidanylidene-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-5-oxidanylidene-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-(2,6-dimethylphenyl)-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-(2,6-dimethylphenyl)-5-oxo-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-5-keto-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C21H18N3O2S+ MolecularWeight: 376.45152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S/c1-13-7-6-8-14(2)18(13)23-19(25)16-11-22-21-24(20(16)26)17(12-27-21)15-9-4-3-5-10-15/h3-12H,1-2H3,(H,23,25)/p+1