2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C22H16BrN5S MolecularWeight: 462.36494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC(=CC=C5)Br

InChI

InChI=1S/C22H16BrN5S/c23-16-8-6-7-15(13-16)21-26-27-22(28(21)17-9-2-1-3-10-17)29-14-20-24-18-11-4-5-12-19(18)25-20/h1-13H,14H2,(H,24,25)