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

Systemtic Name: 4-ethyl-3-[(2-fluorophenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-[(2-fluorophenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(2-fluorophenyl)methylthio]-5-(3-nitrophenyl)-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(2-fluorophenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-[(2-fluorobenzyl)thio]-5-(3-nitrophenyl)-1,2,4-triazole Formula: C17H15FN4O2S MolecularWeight: 358.390003

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2F)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2F)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15FN4O2S/c1-2-21-16(12-7-5-8-14(10-12)22(23)24)19-20-17(21)25-11-13-6-3-4-9-15(13)18/h3-10H,2,11H2,1H3