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

Systemtic Name: 3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: 3-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: 3-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: 3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 3-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C18H19N5O5S MolecularWeight: 417.43896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C18H19N5O5S/c1-3-22-17(15-5-4-9-28-15)20-21-18(22)29-10-8-16(24)19-13-7-6-12(27-2)11-14(13)23(25)26/h4-7,9,11H,3,8,10H2,1-2H3,(H,19,24)