4-methyl-1H-1,2,4-triazole-5-thione; 1-pentyl-4-[3-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 4-methyl-1H-1,2,4-triazole-5-thione; 1-pentyl-4-[3-(trifluoromethyl)phenyl]piperazine Openeye Name: 4-methyl-1H-1,2,4-triazole-5-thione; 1-pentyl-4-[3-(trifluoromethyl)phenyl]piperazine CAS Name: 4-methyl-1H-1,2,4-triazole-5-thione; 1-pentyl-4-[3-(trifluoromethyl)phenyl]piperazine IUPAC Name: 4-methyl-1H-1,2,4-triazole-5-thione; 1-pentyl-4-[3-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-amyl-4-[3-(trifluoromethyl)phenyl]piperazine; 4-methyl-1H-1,2,4-triazole-5-thione Formula: C19H28F3N5S MolecularWeight: 415.51933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F.CN1C=NNC1=S

Isomeric SMILES

CCCCCN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F.CN1C=NNC1=S

InChI

InChI=1S/C16H23F3N2.C3H5N3S/c1-2-3-4-8-20-9-11-21(12-10-20)15-7-5-6-14(13-15)16(17,18)19;1-6-2-4-5-3(6)7/h5-7,13H,2-4,8-12H2,1H3;2H,1H3,(H,5,7)