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

Systemtic Name: 7-[(1-propan-2-ylbenzimidazol-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(1-isopropylbenzimidazol-2-yl)sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[(1-propan-2-yl-2-benzimidazolyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(1-propan-2-ylbenzimidazol-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[(1-isopropylbenzimidazol-2-yl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C17H17N4OS2+ MolecularWeight: 357.47308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C17H16N4OS2/c1-11(2)21-14-6-4-3-5-13(14)19-17(21)24-10-12-9-15(22)20-7-8-23-16(20)18-12/h3-9,11H,10H2,1-2H3/p+1