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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(2-fluorophenyl)methylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(2-fluorobenzyl)thio]-4-methyl-1,2,4-triazole Formula: C20H22FN3S MolecularWeight: 355.472183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3F

InChI

InChI=1S/C20H22FN3S/c1-20(2,3)16-11-9-14(10-12-16)18-22-23-19(24(18)4)25-13-15-7-5-6-8-17(15)21/h5-12H,13H2,1-4H3