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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C21H15BrN6S MolecularWeight: 463.353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CN=CC=C5

InChI

InChI=1S/C21H15BrN6S/c22-15-7-9-16(10-8-15)28-20(14-4-3-11-23-12-14)26-27-21(28)29-13-19-24-17-5-1-2-6-18(17)25-19/h1-12H,13H2,(H,24,25)