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

Systemtic Name: 1-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-ethyl-2-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 1-ethyl-2-[[[4-(2-furfuryl)-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=CN4CC5=CC=CO5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=CN4CC5=CC=CO5

InChI

InChI=1S/C22H26N6O3S2/c1-2-28-20-9-8-18(33(29,30)27-10-4-3-5-11-27)13-19(20)24-21(28)15-32-22-25-23-16-26(22)14-17-7-6-12-31-17/h6-9,12-13,16H,2-5,10-11,14-15H2,1H3