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

Systemtic Name: 3-(4-fluoranyl-2-nitro-phenyl)sulfanyl-5-propyl-1H-1,2,4-triazole Openeye Name: 3-(4-fluoro-2-nitro-phenyl)sulfanyl-5-propyl-1H-1,2,4-triazole CAS Name: 3-[(4-fluoro-2-nitrophenyl)thio]-5-propyl-1H-1,2,4-triazole IUPAC Name: 3-(4-fluoro-2-nitrophenyl)sulfanyl-5-propyl-1H-1,2,4-triazole Traditional Name: 3-[(4-fluoro-2-nitro-phenyl)thio]-5-propyl-1H-1,2,4-triazole Formula: C11H11FN4O2S MolecularWeight: 282.294043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C11H11FN4O2S/c1-2-3-10-13-11(15-14-10)19-9-5-4-7(12)6-8(9)16(17)18/h4-6H,2-3H2,1H3,(H,13,14,15)