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

Systemtic Name: 2-[[4-(2-methoxyphenyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(2-methoxyphenyl)-5-[4-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(2-methoxyphenyl)-5-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(2-methoxyphenyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(2-methoxyphenyl)-5-(4-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)N)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)N)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25N5O4S2/c1-31-19-8-4-3-7-18(19)27-21(24-25-22(27)32-15-20(23)28)16-9-11-17(12-10-16)33(29,30)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-15H2,1H3,(H2,23,28)