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

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Formula: C29H32FN3S MolecularWeight: 473.647883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F)C)C(C)(C)C

InChI

InChI=1S/C29H32FN3S/c1-20-17-23(29(3,4)5)18-21(2)25(20)19-34-28-32-31-27(24-13-9-10-14-26(24)30)33(28)16-15-22-11-7-6-8-12-22/h6-14,17-18H,15-16,19H2,1-5H3