3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole Formula: C25H24FN3S MolecularWeight: 417.541563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C25H24FN3S/c1-25(2,3)19-15-13-18(14-16-19)17-30-24-28-27-23(21-11-7-8-12-22(21)26)29(24)20-9-5-4-6-10-20/h4-16H,17H2,1-3H3