2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4,5-diphenyl-1H-imidazol-2-yl)thio]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4,5-diphenyl-1H-imidazol-2-yl)thio]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C25H21N4OS+ MolecularWeight: 425.52544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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