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

Systemtic Name: 2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Openeye Name: 2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one CAS Name: 2-[[(1-ethyl-2-benzimidazolyl)thio]methyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one IUPAC Name: 2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Traditional Name: 2-[[(1-ethylbenzimidazol-2-yl)thio]methyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Formula: C20H17N4OS2+ MolecularWeight: 393.50518

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54

InChI

InChI=1S/C20H16N4OS2/c1-2-23-15-8-4-3-7-14(15)22-19(23)26-12-13-11-18(25)24-16-9-5-6-10-17(16)27-20(24)21-13/h3-11H,2,12H2,1H3/p+1