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

Systemtic Name: 3-[(2-fluoranylphenoxy)methyl]-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-fluorophenoxy)methyl]-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(2-fluorophenoxy)methyl]-5-[(2-methoxy-5-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-fluorophenoxy)methyl]-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-fluorophenoxy)methyl]-5-[(2-methoxy-5-nitro-benzyl)thio]-1,2,4-triazole Formula: C20H19FN4O4S MolecularWeight: 430.452663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2CC=C)COC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2CC=C)COC3=CC=CC=C3F

InChI

InChI=1S/C20H19FN4O4S/c1-3-10-24-19(12-29-18-7-5-4-6-16(18)21)22-23-20(24)30-13-14-11-15(25(26)27)8-9-17(14)28-2/h3-9,11H,1,10,12-13H2,2H3