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

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

Isomeric SMILES

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

InChI

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