5-chloranyl-2-[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethyl]-1-(phenylmethyl)benzimidazole

Systemtic Name: 5-chloranyl-2-[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-5-chloro-2-[1-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]benzimidazole CAS Name: 5-chloro-2-[1-[(1-oxido-2-pyridin-1-iumyl)thio]ethyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[1-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]benzimidazole Traditional Name: 1-benzyl-5-chloro-2-[1-[(1-oxidopyridin-1-ium-2-yl)thio]ethyl]benzimidazole Formula: C21H18ClN3OS MolecularWeight: 395.90512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)SC4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC(C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)SC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C21H18ClN3OS/c1-15(27-20-9-5-6-12-25(20)26)21-23-18-13-17(22)10-11-19(18)24(21)14-16-7-3-2-4-8-16/h2-13,15H,14H2,1H3