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

Systemtic Name: 3-[(2-fluoranylphenoxy)methyl]-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-fluorophenoxy)methyl]-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(2-fluorophenoxy)methyl]-5-[(2-methyl-3-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-fluorophenoxy)methyl]-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-fluorophenoxy)methyl]-5-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazole Formula: C20H19FN4O3S MolecularWeight: 414.453263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC=C)COC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC=C)COC3=CC=CC=C3F

InChI

InChI=1S/C20H19FN4O3S/c1-3-11-24-19(12-28-18-10-5-4-8-16(18)21)22-23-20(24)29-13-15-7-6-9-17(14(15)2)25(26)27/h3-10H,1,11-13H2,2H3