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

Systemtic Name: 3-[4-(2-methylpropyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-5-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-methylpropyl)-5-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(2-methylpropyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-5-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]-1,2,4-triazol-3-yl]propionamide Formula: C18H27N5O4S2 MolecularWeight: 441.56808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=C(O2)S(=O)(=O)N3CCCC3)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=C(O2)S(=O)(=O)N3CCCC3)CCC(=O)N

InChI

InChI=1S/C18H27N5O4S2/c1-13(2)11-23-16(7-6-15(19)24)20-21-18(23)28-12-14-5-8-17(27-14)29(25,26)22-9-3-4-10-22/h5,8,13H,3-4,6-7,9-12H2,1-2H3,(H2,19,24)