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

Systemtic Name: 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-phenyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C21H16N6S MolecularWeight: 384.45694

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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=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC=CC=N5

InChI

InChI=1S/C21H16N6S/c1-2-8-15(9-3-1)27-20(18-12-6-7-13-22-18)25-26-21(27)28-14-19-23-16-10-4-5-11-17(16)24-19/h1-13H,14H2,(H,23,24)