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

Systemtic Name: 3-(4-fluorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-fluorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-fluorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-fluorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-fluorophenyl)-5-[(2-methoxy-5-nitro-benzyl)thio]-1,2,4-triazole Formula: C19H17FN4O3S MolecularWeight: 400.426683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H17FN4O3S/c1-3-10-23-18(13-4-6-15(20)7-5-13)21-22-19(23)28-12-14-11-16(24(25)26)8-9-17(14)27-2/h3-9,11H,1,10,12H2,2H3