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

Systemtic Name: 7-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[(1-hexyl-2-benzimidazolyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[(1-hexylbenzimidazol-2-yl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C20H23N4OS2+ MolecularWeight: 399.55282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C20H22N4OS2/c1-2-3-4-7-10-23-17-9-6-5-8-16(17)22-20(23)27-14-15-13-18(25)24-11-12-26-19(24)21-15/h5-6,8-9,11-13H,2-4,7,10,14H2,1H3/p+1