2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H21N5O3S2/c27-31(28,26-11-4-1-5-12-26)16-8-6-7-15(13-16)20-24-25-21(29-20)30-14-19-22-17-9-2-3-10-18(17)23-19/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,22,23)