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

Systemtic Name: 3-[(2-fluoranylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-fluorophenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-fluorophenoxy)methyl]-5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-fluorophenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-fluorophenoxy)methyl]-5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C22H17FN4O3S MolecularWeight: 436.458783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])COC4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])COC4=CC=CC=C4F

InChI

InChI=1S/C22H17FN4O3S/c23-19-8-4-5-9-20(19)30-14-21-24-25-22(26(21)17-6-2-1-3-7-17)31-15-16-10-12-18(13-11-16)27(28)29/h1-13H,14-15H2