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

Systemtic Name: 2-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Openeye Name: 2-[(1-allylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one CAS Name: 2-[[(1-prop-2-enyl-2-benzimidazolyl)thio]methyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one IUPAC Name: 2-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Traditional Name: 2-[[(1-allylbenzimidazol-2-yl)thio]methyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Formula: C21H17N4OS2+ MolecularWeight: 405.51588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4OS2/c1-2-11-24-16-8-4-3-7-15(16)23-20(24)27-13-14-12-19(26)25-17-9-5-6-10-18(17)28-21(25)22-14/h2-10,12H,1,11,13H2/p+1