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

Systemtic Name: 3-[(2-fluoranylphenoxy)methyl]-4-hexyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(2-fluorophenoxy)methyl]-4-hexyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(2-fluorophenoxy)methyl]-4-hexyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(2-fluorophenoxy)methyl]-4-hexyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(2-fluorophenoxy)methyl]-4-hexyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C22H25FN4O3S MolecularWeight: 444.522303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC=C3F

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC=C3F

InChI

InChI=1S/C22H25FN4O3S/c1-2-3-4-7-14-26-21(15-30-20-9-6-5-8-19(20)23)24-25-22(26)31-16-17-10-12-18(13-11-17)27(28)29/h5-6,8-13H,2-4,7,14-16H2,1H3