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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-(2-furfuryl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C20H16N6OS MolecularWeight: 388.44564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3CC4=CC=CO4)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3CC4=CC=CO4)C5=CN=CC=C5

InChI

InChI=1S/C20H16N6OS/c1-2-8-17-16(7-1)22-18(23-17)13-28-20-25-24-19(14-5-3-9-21-11-14)26(20)12-15-6-4-10-27-15/h1-11H,12-13H2,(H,22,23)