3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole Formula: C23H25BrFN3O2S MolecularWeight: 506.430903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=C(C=C(C=C4)Br)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=C(C=C(C=C4)Br)F)OC

InChI

InChI=1S/C23H25BrFN3O2S/c1-29-20-11-9-15(12-21(20)30-2)22-26-27-23(28(22)18-6-4-3-5-7-18)31-14-16-8-10-17(24)13-19(16)25/h8-13,18H,3-7,14H2,1-2H3