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

Systemtic Name: 5-cyclopropyl-3-(4-fluoranyl-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-cyclopropyl-3-(4-fluoro-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-cyclopropyl-3-[(4-fluoro-2-nitrophenyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopropyl-3-(4-fluoro-2-nitrophenyl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-cyclopropyl-3-[(4-fluoro-2-nitro-phenyl)thio]-1H-1,2,4-triazole Formula: C11H9FN4O2S MolecularWeight: 280.278163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NC(=NN2)SC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C11H9FN4O2S/c12-7-3-4-9(8(5-7)16(17)18)19-11-13-10(14-15-11)6-1-2-6/h3-6H,1-2H2,(H,13,14,15)