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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)F

InChI

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