3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Formula: C16H12ClFN4O2S MolecularWeight: 378.808483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClFN4O2S/c1-21-15(10-5-7-11(8-6-10)22(23)24)19-20-16(21)25-9-12-13(17)3-2-4-14(12)18/h2-8H,9H2,1H3