2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[[4-(2-furanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[[4-(2-furfuryl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C21H24N6O5S MolecularWeight: 472.51746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=C(N2CC3=CC=CO3)N4CCCC4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=C(N2CC3=CC=CO3)N4CCCC4

InChI

InChI=1S/C21H24N6O5S/c1-14(19(28)22-17-12-15(27(29)30)7-8-18(17)31-2)33-21-24-23-20(25-9-3-4-10-25)26(21)13-16-6-5-11-32-16/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H,22,28)