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

Systemtic Name: 3-(4-fluorophenyl)-5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-fluorophenyl)-5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-fluorophenyl)-5-[(2-methoxy-5-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-fluorophenyl)-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-fluorophenyl)-5-[(2-methoxy-5-methyl-benzyl)thio]-1,2,4-triazole Formula: C20H20FN3OS MolecularWeight: 369.455703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3OS/c1-4-11-24-19(15-6-8-17(21)9-7-15)22-23-20(24)26-13-16-12-14(2)5-10-18(16)25-3/h4-10,12H,1,11,13H2,2-3H3