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

Systemtic Name: 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4,5-bis(2-thienyl)-1H-imidazol-2-yl]sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[4,5-bis(2-thienyl)-1H-imidazol-2-yl]thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H17N4OS3+ MolecularWeight: 437.58088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC(=C(N3)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC(=C(N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C21H16N4OS3/c1-13-6-7-17-22-14(10-18(26)25(17)11-13)12-29-21-23-19(15-4-2-8-27-15)20(24-21)16-5-3-9-28-16/h2-11H,12H2,1H3,(H,23,24)/p+1