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

Systemtic Name: 3-[(2-fluorophenyl)methylsulfanyl]-4-methyl-5-(3-nitrophenyl)-1,2,4-triazole Openeye Name: 3-[(2-fluorophenyl)methylsulfanyl]-4-methyl-5-(3-nitrophenyl)-1,2,4-triazole CAS Name: 3-[(2-fluorophenyl)methylthio]-4-methyl-5-(3-nitrophenyl)-1,2,4-triazole IUPAC Name: 3-[(2-fluorophenyl)methylsulfanyl]-4-methyl-5-(3-nitrophenyl)-1,2,4-triazole Traditional Name: 3-[(2-fluorobenzyl)thio]-4-methyl-5-(3-nitrophenyl)-1,2,4-triazole Formula: C16H13FN4O2S MolecularWeight: 344.363423

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2F)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2F)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13FN4O2S/c1-20-15(11-6-4-7-13(9-11)21(22)23)18-19-16(20)24-10-12-5-2-3-8-14(12)17/h2-9H,10H2,1H3