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

Systemtic Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C18H15FN4O2S MolecularWeight: 370.400703

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4F

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C18H15FN4O2S/c19-16-4-2-1-3-15(16)17-20-21-18(22(17)13-9-10-13)26-11-12-5-7-14(8-6-12)23(24)25/h1-8,13H,9-11H2