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

Systemtic Name: 3-(2-fluorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-(2-fluorophenyl)-4-isopropyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-fluorophenyl)-5-[(4-nitrophenyl)methylthio]-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-(2-fluorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-(2-fluorophenyl)-4-isopropyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C18H17FN4O2S MolecularWeight: 372.416583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3F

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3F

InChI

InChI=1S/C18H17FN4O2S/c1-12(2)22-17(15-5-3-4-6-16(15)19)20-21-18(22)26-11-13-7-9-14(10-8-13)23(24)25/h3-10,12H,11H2,1-2H3