2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4,5-diphenyl-1H-imidazol-2-yl)thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4,5-diphenyl-1H-imidazol-2-yl)thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C25H21N4OS+ MolecularWeight: 425.52544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4OS/c1-17-12-13-21-26-20(14-22(30)29(21)15-17)16-31-25-27-23(18-8-4-2-5-9-18)24(28-25)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,27,28)/p+1