3-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C20H28N6O3S2 MolecularWeight: 464.60472

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H28N6O3S2/c1-3-10-26-19(27)22-23-20(26)30-14-18-21-16-13-15(8-9-17(16)25(18)4-2)31(28,29)24-11-6-5-7-12-24/h8-9,13H,3-7,10-12,14H2,1-2H3,(H,22,27)