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

Systemtic Name: 3-(2-fluorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Openeye Name: 3-(2-fluorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole CAS Name: 3-(2-fluorophenyl)-5-[(3-nitrophenyl)methylthio]-4-phenethyl-1,2,4-triazole IUPAC Name: 3-(2-fluorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Traditional Name: 3-(2-fluorophenyl)-5-[(3-nitrobenzyl)thio]-4-phenethyl-1,2,4-triazole Formula: C23H19FN4O2S MolecularWeight: 434.485963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C23H19FN4O2S/c24-21-12-5-4-11-20(21)22-25-26-23(27(22)14-13-17-7-2-1-3-8-17)31-16-18-9-6-10-19(15-18)28(29)30/h1-12,15H,13-14,16H2