3-(trifluoromethyl)-3,4-dihydro-1,2,4-triazole-5-thione hydrate

Systemtic Name: 3-(trifluoromethyl)-3,4-dihydro-1,2,4-triazole-5-thione hydrate Openeye Name: 3-(trifluoromethyl)-3,4-dihydro-1,2,4-triazole-5-thione hydrate CAS Name: 3-(trifluoromethyl)-3,4-dihydro-1,2,4-triazole-5-thione hydrate IUPAC Name: 3-(trifluoromethyl)-3,4-dihydro-1,2,4-triazole-5-thione hydrate Traditional Name: 3-(trifluoromethyl)-3,4-dihydro-1,2,4-triazole-5-thione hydrate Formula: C3H4F3N3OS MolecularWeight: 187.14357

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Descriptors Computed from Structure

Canonical SMILES:

C1(NC(=S)N=N1)C(F)(F)F.O

Isomeric SMILES

C1(NC(=S)N=N1)C(F)(F)F.O

InChI

InChI=1S/C3H2F3N3S.H2O/c4-3(5,6)1-7-2(10)9-8-1;/h1H,(H,7,10);1H2