2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one

Systemtic Name: 2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Openeye Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one CAS Name: 2-[[(6-chloro-1H-benzimidazol-2-yl)thio]methyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one IUPAC Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Traditional Name: 2-[[(6-chloro-1H-benzimidazol-2-yl)thio]methyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Formula: C18H12ClN4OS2+ MolecularWeight: 399.89708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+]3=C(S2)NC(=CC3=O)CSC4=NC5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)[N+]3=C(S2)NC(=CC3=O)CSC4=NC5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C18H11ClN4OS2/c19-10-5-6-12-13(7-10)22-17(21-12)25-9-11-8-16(24)23-14-3-1-2-4-15(14)26-18(23)20-11/h1-8H,9H2,(H,21,22)/p+1