1-ethyl-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-ethyl-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-ethyl-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 1-ethyl-2-[[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-5-piperidinosulfonyl-benzimidazole Formula: C22H26N6O3S2 MolecularWeight: 486.61024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=C(N4C)C5=CC=CO5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=C(N4C)C5=CC=CO5

InChI

InChI=1S/C22H26N6O3S2/c1-3-28-18-10-9-16(33(29,30)27-11-5-4-6-12-27)14-17(18)23-20(28)15-32-22-25-24-21(26(22)2)19-8-7-13-31-19/h7-10,13-14H,3-6,11-12,15H2,1-2H3