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

Systemtic Name: 5-chloranyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-5-chloro-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzimidazole CAS Name: 5-chloro-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzimidazole Traditional Name: 1-benzyl-5-chloro-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]benzimidazole Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C20H16ClN3OS/c21-16-9-10-18-17(12-16)22-19(14-26-20-8-4-5-11-24(20)25)23(18)13-15-6-2-1-3-7-15/h1-12H,13-14H2