4-propyl-2-[(1-propylbenzimidazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]benzimidazol-4-ium-1-olate

Systemtic Name: 4-propyl-2-[(1-propylbenzimidazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]benzimidazol-4-ium-1-olate Openeye Name: 4-propyl-2-[(1-propylbenzimidazol-2-yl)sulfanylmethyl]thiazolo[3,2-a]benzimidazol-4-ium-1-olate CAS Name: 4-propyl-2-[[(1-propyl-2-benzimidazolyl)thio]methyl]-1-thiazolo[3,2-a]benzimidazol-4-iumolate IUPAC Name: 4-propyl-2-[(1-propylbenzimidazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]benzimidazol-4-ium-1-olate Traditional Name: 4-propyl-2-[[(1-propylbenzimidazol-2-yl)thio]methyl]thiazolo[3,2-a]benzimidazol-4-ium-1-olate Formula: C23H24N4OS2 MolecularWeight: 436.59286

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC3=C(N4C5=CC=CC=C5[N+](=C4S3)CCC)[O-]

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC3=C(N4C5=CC=CC=C5[N+](=C4S3)CCC)[O-]

InChI

InChI=1S/C23H24N4OS2/c1-3-13-25-17-10-6-5-9-16(17)24-22(25)29-15-20-21(28)27-19-12-8-7-11-18(19)26(14-4-2)23(27)30-20/h5-12H,3-4,13-15H2,1-2H3