3-(2-fluorophenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(2-fluorophenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-fluorophenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-fluorophenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole IUPAC Name: 3-(2-fluorophenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-fluorophenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole Formula: C17H15FN4O3S MolecularWeight: 374.389403

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F

InChI

InChI=1S/C17H15FN4O3S/c1-21-16(14-7-2-3-8-15(14)18)19-20-17(21)26-10-9-25-13-6-4-5-12(11-13)22(23)24/h2-8,11H,9-10H2,1H3