3-(4-tert-butylphenyl)-5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluorophenyl)methylthio]-4-cyclohexyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluoro-benzyl)thio]-4-cyclohexyl-1,2,4-triazole Formula: C25H29ClFN3S MolecularWeight: 458.034263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C25H29ClFN3S/c1-25(2,3)18-14-12-17(13-15-18)23-28-29-24(30(23)19-8-5-4-6-9-19)31-16-20-21(26)10-7-11-22(20)27/h7,10-15,19H,4-6,8-9,16H2,1-3H3