N-[3-[4-ethyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide

Systemtic Name: N-[3-[4-ethyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-ethyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-ethyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-ethyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[4-ethyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide Formula: C16H18F3N5O3S MolecularWeight: 417.40603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CCCNC(=O)C

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CCCNC(=O)C

InChI

InChI=1S/C16H18F3N5O3S/c1-3-23-14(5-4-8-20-10(2)25)21-22-15(23)28-13-7-6-11(16(17,18)19)9-12(13)24(26)27/h6-7,9H,3-5,8H2,1-2H3,(H,20,25)