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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-cyclopentyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-cyclopentyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluorophenyl)methylthio]-4-cyclopentyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-cyclopentyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluoro-benzyl)thio]-4-cyclopentyl-1,2,4-triazole Formula: C24H27ClFN3S MolecularWeight: 444.007683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C24H27ClFN3S/c1-24(2,3)17-13-11-16(12-14-17)22-27-28-23(29(22)18-7-4-5-8-18)30-15-19-20(25)9-6-10-21(19)26/h6,9-14,18H,4-5,7-8,15H2,1-3H3