3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole CAS Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromo-2,5-dimethoxy-benzyl)thio]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole Formula: C20H19BrFN3O2S MolecularWeight: 464.351163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=NN=C(N2C3CC3)C4=CC=CC=C4F)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=NN=C(N2C3CC3)C4=CC=CC=C4F)OC)Br

InChI

InChI=1S/C20H19BrFN3O2S/c1-26-17-10-15(21)18(27-2)9-12(17)11-28-20-24-23-19(25(20)13-7-8-13)14-5-3-4-6-16(14)22/h3-6,9-10,13H,7-8,11H2,1-2H3