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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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