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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluoro-benzyl)thio]-1,2,4-triazole Formula: C22H23ClFN3S MolecularWeight: 415.954523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H23ClFN3S/c1-5-13-27-20(15-9-11-16(12-10-15)22(2,3)4)25-26-21(27)28-14-17-18(23)7-6-8-19(17)24/h5-12H,1,13-14H2,2-4H3