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

Systemtic Name: 2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-(2-furanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=CO4

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=CO4

InChI

InChI=1S/C18H19N5OS/c1-12(2)10-23-17(15-8-5-9-24-15)21-22-18(23)25-11-16-19-13-6-3-4-7-14(13)20-16/h3-9,12H,10-11H2,1-2H3,(H,19,20)