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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluorophenyl)methylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluoro-benzyl)thio]-4-methyl-1,2,4-triazole Formula: C20H21ClFN3S MolecularWeight: 389.917243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H21ClFN3S/c1-20(2,3)14-10-8-13(9-11-14)18-23-24-19(25(18)4)26-12-15-16(21)6-5-7-17(15)22/h5-11H,12H2,1-4H3