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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-[4-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(2-furanylmethyl)-5-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(2-furfuryl)-5-(4-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H23N5O4S2 MolecularWeight: 461.55772

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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=CO4)SCC(=O)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3CC4=CC=CO4)SCC(=O)N

InChI

InChI=1S/C20H23N5O4S2/c21-18(26)14-30-20-23-22-19(25(20)13-16-5-4-12-29-16)15-6-8-17(9-7-15)31(27,28)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H2,21,26)