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

Systemtic Name: 5-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]-2-phenyl-1H-1,2,4-triazol-3-one Openeye Name: 5-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methylsulfanyl]-2-phenyl-1H-1,2,4-triazol-3-one CAS Name: 5-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methylthio]-2-phenyl-1H-1,2,4-triazol-3-one IUPAC Name: 5-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]-2-phenyl-1H-1,2,4-triazol-3-one Traditional Name: 5-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methylthio]-2-phenyl-1H-1,2,4-triazol-3-one Formula: C23H26N6O3S2 MolecularWeight: 498.62094

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NC(=O)N(N4)C5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NC(=O)N(N4)C5=CC=CC=C5

InChI

InChI=1S/C23H26N6O3S2/c1-2-28-20-12-11-18(34(31,32)27-13-7-4-8-14-27)15-19(20)24-21(28)16-33-22-25-23(30)29(26-22)17-9-5-3-6-10-17/h3,5-6,9-12,15H,2,4,7-8,13-14,16H2,1H3,(H,25,26,30)