3-[4-(furan-2-ylmethyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-(furan-2-ylmethyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-(2-furylmethyl)-5-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-furanylmethyl)-5-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(furan-2-ylmethyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-(2-furfuryl)-5-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]-1,2,4-triazol-3-yl]propionamide Formula: C19H23N5O5S2 MolecularWeight: 465.54642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CSC3=NN=C(N3CC4=CC=CO4)CCC(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CSC3=NN=C(N3CC4=CC=CO4)CCC(=O)N

InChI

InChI=1S/C19H23N5O5S2/c20-16(25)6-7-17-21-22-19(24(17)12-14-4-3-11-28-14)30-13-15-5-8-18(29-15)31(26,27)23-9-1-2-10-23/h3-5,8,11H,1-2,6-7,9-10,12-13H2,(H2,20,25)