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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(2-furanylmethyl)-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(2-furfuryl)-5-(4-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3CC4=CC=CO4)SCC(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3CC4=CC=CO4)SCC(=O)N

InChI

InChI=1S/C19H21N5O4S2/c20-17(25)13-29-19-22-21-18(24(19)12-15-4-3-11-28-15)14-5-7-16(8-6-14)30(26,27)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12-13H2,(H2,20,25)