N-[2-nitro-4-(trifluoromethyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C11H8F3N5O3S MolecularWeight: 347.27313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(=O)CSC2=NC=NN2

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(=O)CSC2=NC=NN2

InChI

InChI=1S/C11H8F3N5O3S/c12-11(13,14)6-1-2-7(8(3-6)19(21)22)17-9(20)4-23-10-15-5-16-18-10/h1-3,5H,4H2,(H,17,20)(H,15,16,18)