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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-[(3-methylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-fluoro-4-methoxy-benzyl)thio]-5-[(3-methylphenoxy)methyl]-1,2,4-triazole Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)SCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)SCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H22FN3O2S/c1-4-10-25-20(13-27-17-7-5-6-15(2)11-17)23-24-21(25)28-14-16-8-9-19(26-3)18(22)12-16/h4-9,11-12H,1,10,13-14H2,2-3H3