5-ethyl-3-(4-fluoranyl-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-ethyl-3-(4-fluoranyl-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-ethyl-3-(4-fluoro-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-ethyl-3-[(4-fluoro-2-nitrophenyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-ethyl-3-(4-fluoro-2-nitrophenyl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-ethyl-3-[(4-fluoro-2-nitro-phenyl)thio]-1H-1,2,4-triazole Formula: C10H9FN4O2S MolecularWeight: 268.267463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC2=C(C=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SC2=C(C=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C10H9FN4O2S/c1-2-9-12-10(14-13-9)18-8-4-3-6(11)5-7(8)15(16)17/h3-5H,2H2,1H3,(H,12,13,14)