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

Systemtic Name: 3-(4-fluorophenyl)-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Openeye Name: 3-(4-fluorophenyl)-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-(4-fluorophenyl)-5-[(4-methoxy-3-nitrophenyl)methylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-(4-fluorophenyl)-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(4-fluorophenyl)-5-[(4-methoxy-3-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=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

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