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

Systemtic Name: 3-(4-fluorophenyl)-5-oxidanylidene-N-phenethyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: 3-(4-fluorophenyl)-5-oxo-N-phenethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 3-(4-fluorophenyl)-5-oxo-N-phenethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 3-(4-fluorophenyl)-5-oxo-N-phenethyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 3-(4-fluorophenyl)-5-keto-N-phenethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C21H17FN3O2S+ MolecularWeight: 394.441983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN3O2S/c22-16-8-6-15(7-9-16)18-13-28-21-24-12-17(20(27)25(18)21)19(26)23-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,26)/p+1