3-(2-fluorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazole

Systemtic Name: 3-(2-fluorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Openeye Name: 3-(2-fluorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-(2-fluorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-(2-fluorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(2-fluorophenyl)-5-[(2-methoxy-5-nitro-benzyl)thio]-4-methyl-1,2,4-triazole Formula: C17H15FN4O3S MolecularWeight: 374.389403

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=CC=C3F

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=CC=C3F

InChI

InChI=1S/C17H15FN4O3S/c1-21-16(13-5-3-4-6-14(13)18)19-20-17(21)26-10-11-9-12(22(23)24)7-8-15(11)25-2/h3-9H,10H2,1-2H3