2-[[4-(phenylmethyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-(phenylmethyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-[4-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(phenylmethyl)-5-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-benzyl-5-(4-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3CC4=CC=CC=C4)SCC(=O)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3CC4=CC=CC=C4)SCC(=O)N

InChI

InChI=1S/C22H25N5O3S2/c23-20(28)16-31-22-25-24-21(27(22)15-17-7-3-1-4-8-17)18-9-11-19(12-10-18)32(29,30)26-13-5-2-6-14-26/h1,3-4,7-12H,2,5-6,13-16H2,(H2,23,28)