2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-6-ethoxy-1,3-benzothiazole

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-6-ethoxy-1,3-benzothiazole Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-6-ethoxy-1,3-benzothiazole CAS Name: 2-(1H-benzimidazol-3-ium-2-ylmethylthio)-6-ethoxy-1,3-benzothiazole IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-6-ethoxy-1,3-benzothiazole Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylmethylthio)-6-ethoxy-1,3-benzothiazole Formula: C17H16N3OS2+ MolecularWeight: 342.45844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=[NH+]C4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=[NH+]C4=CC=CC=C4N3

InChI

InChI=1S/C17H15N3OS2/c1-2-21-11-7-8-14-15(9-11)23-17(20-14)22-10-16-18-12-5-3-4-6-13(12)19-16/h3-9H,2,10H2,1H3,(H,18,19)/p+1