5-tert-butyl-2-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-tert-butyl-2-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[(2-chloro-6-fluoro-benzyl)-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione Formula: C15H20ClFN4S MolecularWeight: 342.862503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN(C)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN(C)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C15H20ClFN4S/c1-15(2,3)13-18-14(22)21(19-13)9-20(4)8-10-11(16)6-5-7-12(10)17/h5-7H,8-9H2,1-4H3,(H,18,19,22)