2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C19H21N7S2 MolecularWeight: 411.54694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)CSC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)CSC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C19H21N7S2/c1-4-26-17(11-27-18-20-12(2)9-13(3)21-18)24-25-19(26)28-10-16-22-14-7-5-6-8-15(14)23-16/h5-9H,4,10-11H2,1-3H3,(H,22,23)