2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine

Systemtic Name: 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine Openeye Name: 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine CAS Name: 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]-3-nitropyridine IUPAC Name: 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine Traditional Name: 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]-3-nitro-pyridine Formula: C13H8FN5O2S MolecularWeight: 317.298323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SC3=C(C=CC=N3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SC3=C(C=CC=N3)[N+](=O)[O-])F

InChI

InChI=1S/C13H8FN5O2S/c14-9-5-2-1-4-8(9)11-16-13(18-17-11)22-12-10(19(20)21)6-3-7-15-12/h1-7H,(H,16,17,18)