2-[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluoranyl-5-nitro-phenyl)ethanamide; ethanedioic acid

Systemtic Name: 2-[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluoranyl-5-nitro-phenyl)ethanamide; ethanedioic acid Openeye Name: 2-[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluoro-5-nitro-phenyl)acetamide; oxalic acid CAS Name: 2-[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]thio]-N-(2-fluoro-5-nitrophenyl)acetamide; oxalic acid IUPAC Name: 2-[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluoro-5-nitrophenyl)acetamide; oxalic acid Traditional Name: 2-[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]thio]-N-(2-fluoro-5-nitro-phenyl)acetamide; oxalic acid Formula: C21H29FN6O7S MolecularWeight: 528.554363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)C(CC)N(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)C(CC)N(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27FN6O3S.C2H2O4/c1-5-7-10-25-18(16(6-2)24(3)4)22-23-19(25)30-12-17(27)21-15-11-13(26(28)29)8-9-14(15)20;3-1(4)2(5)6/h8-9,11,16H,5-7,10,12H2,1-4H3,(H,21,27);(H,3,4)(H,5,6)