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

Systemtic Name: 3-(4-bromophenyl)-5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-bromophenyl)-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-5-[(3-fluoro-4-methoxyphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-bromophenyl)-5-[(3-fluoro-4-methoxy-benzyl)thio]-1,2,4-triazole Formula: C19H17BrFN3OS MolecularWeight: 434.325183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C19H17BrFN3OS/c1-3-10-24-18(14-5-7-15(20)8-6-14)22-23-19(24)26-12-13-4-9-17(25-2)16(21)11-13/h3-9,11H,1,10,12H2,2H3