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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C24H27ClFN3S/c1-24(2,3)18-11-8-16(9-12-18)22-27-28-23(29(22)20-6-4-5-7-20)30-15-17-10-13-19(26)14-21(17)25/h8-14,20H,4-7,15H2,1-3H3