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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(C=C(C=C3)F)Cl

InChI

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