3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole Formula: C27H34FN3S MolecularWeight: 451.642363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4F)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4F)C)C(C)(C)C

InChI

InChI=1S/C27H34FN3S/c1-18-15-20(27(3,4)5)16-19(2)23(18)17-32-26-30-29-25(22-13-9-10-14-24(22)28)31(26)21-11-7-6-8-12-21/h9-10,13-16,21H,6-8,11-12,17H2,1-5H3