2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazol-3-ium chloride

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazol-3-ium chloride Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazol-3-ium chloride CAS Name: 2-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-benzimidazol-3-ium chloride IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazol-3-ium chloride Traditional Name: 2-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-benzimidazol-3-ium chloride Formula: C22H18ClN5S MolecularWeight: 419.92982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=[NH+]C5=CC=CC=C5N4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=[NH+]C5=CC=CC=C5N4.[Cl-]

InChI

InChI=1S/C22H17N5S.ClH/c1-3-9-16(10-4-1)21-25-26-22(27(21)17-11-5-2-6-12-17)28-15-20-23-18-13-7-8-14-19(18)24-20;/h1-14H,15H2,(H,23,24);1H