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

Systemtic Name: 4-butyl-3-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C21H30N6O3S2 MolecularWeight: 478.6313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H30N6O3S2/c1-3-5-13-27-20(28)23-24-21(27)31-15-19-22-17-14-16(9-10-18(17)26(19)4-2)32(29,30)25-11-7-6-8-12-25/h9-10,14H,3-8,11-13,15H2,1-2H3,(H,23,28)