2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one

Systemtic Name: 2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Openeye Name: 2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one CAS Name: 2-[[(1-methyl-2-benzimidazolyl)thio]methyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one IUPAC Name: 2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Traditional Name: 2-[[(1-methylbenzimidazol-2-yl)thio]methyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Formula: C19H15N4OS2+ MolecularWeight: 379.4786

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54

InChI

InChI=1S/C19H14N4OS2/c1-22-14-7-3-2-6-13(14)21-18(22)25-11-12-10-17(24)23-15-8-4-5-9-16(15)26-19(23)20-12/h2-10H,11H2,1H3/p+1