4-(3-methoxypropyl)-3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-methoxypropyl)-3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-methoxypropyl)-3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-methoxypropyl)-3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-methoxypropyl)-3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-methoxypropyl)-3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Formula: C13H14F3N3OS MolecularWeight: 317.32997

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NNC1=S)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COCCCN1C(=NNC1=S)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H14F3N3OS/c1-20-8-2-7-19-11(17-18-12(19)21)9-3-5-10(6-4-9)13(14,15)16/h3-6H,2,7-8H2,1H3,(H,18,21)