5-tert-butyl-2-[[(4-fluorophenyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-tert-butyl-2-[[(4-fluorophenyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[(4-fluorophenyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[(4-fluorobenzyl)-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione Formula: C15H21FN4S MolecularWeight: 308.417443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN(C)CC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN(C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C15H21FN4S/c1-15(2,3)13-17-14(21)20(18-13)10-19(4)9-11-5-7-12(16)8-6-11/h5-8H,9-10H2,1-4H3,(H,17,18,21)