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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-(4-fluorophenyl)-5-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=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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