4-(4-fluorophenyl)-3-[(2-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(4-fluorophenyl)-3-[(2-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(4-fluorophenyl)-3-[(2-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(4-fluorophenyl)-3-[(2-nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(4-fluorophenyl)-3-[(2-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(4-fluorophenyl)-3-[(2-nitrobenzyl)thio]-5-phenyl-1,2,4-triazole Formula: C21H15FN4O2S MolecularWeight: 406.432803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)F)SCC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)F)SCC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H15FN4O2S/c22-17-10-12-18(13-11-17)25-20(15-6-2-1-3-7-15)23-24-21(25)29-14-16-8-4-5-9-19(16)26(27)28/h1-13H,14H2