7-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[(1-phenethyl-2-benzimidazolyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[(1-phenethylbenzimidazol-2-yl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C22H19N4OS2+ MolecularWeight: 419.54246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC4=CC(=O)[N+]5=C(N4)SC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC4=CC(=O)[N+]5=C(N4)SC=C5

InChI

InChI=1S/C22H18N4OS2/c27-20-14-17(23-21-26(20)12-13-28-21)15-29-22-24-18-8-4-5-9-19(18)25(22)11-10-16-6-2-1-3-7-16/h1-9,12-14H,10-11,15H2/p+1