2-methyl-4-phenyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-methyl-4-phenyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione Openeye Name: 2-methyl-4-phenyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione CAS Name: 2-methyl-4-phenyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione IUPAC Name: 2-methyl-4-phenyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione Traditional Name: 2-methyl-4-phenyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione Formula: C10H8F3N3S MolecularWeight: 259.25083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(C(=N1)C(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

CN1C(=S)N(C(=N1)C(F)(F)F)C2=CC=CC=C2

InChI

InChI=1S/C10H8F3N3S/c1-15-9(17)16(7-5-3-2-4-6-7)8(14-15)10(11,12)13/h2-6H,1H3