N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C19H17N4O2S+ MolecularWeight: 365.42888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)C2=CNC3=CC=CC=[N+]3C2=O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)C2=CNC3=CC=CC=[N+]3C2=O)C#N

InChI

InChI=1S/C19H16N4O2S/c20-11-14-5-1-2-6-15(14)13-26-10-8-21-18(24)16-12-22-17-7-3-4-9-23(17)19(16)25/h1-7,9,12H,8,10,13H2,(H,21,24)/p+1