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

Systemtic Name: 3-[(4-fluoranylphenoxy)methyl]-5-[(2-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-fluorophenoxy)methyl]-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-fluorophenoxy)methyl]-5-[(2-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-fluorophenoxy)methyl]-5-[(2-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-fluorophenoxy)methyl]-5-[(2-nitrobenzyl)thio]-1,2,4-triazole Formula: C19H17FN4O3S MolecularWeight: 400.426683

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2[N+](=O)[O-])COC3=CC=C(C=C3)F

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2[N+](=O)[O-])COC3=CC=C(C=C3)F

InChI

InChI=1S/C19H17FN4O3S/c1-2-11-23-18(12-27-16-9-7-15(20)8-10-16)21-22-19(23)28-13-14-5-3-4-6-17(14)24(25)26/h2-10H,1,11-13H2