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

Systemtic Name: 3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-(4-fluorophenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C22H17FN4O2S MolecularWeight: 420.459383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN4O2S/c23-19-10-8-18(9-11-19)21-24-25-22(26(21)14-16-4-2-1-3-5-16)30-15-17-6-12-20(13-7-17)27(28)29/h1-13H,14-15H2