5-(2-chlorophenyl)-4-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-chlorophenyl)-4-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2-chlorophenyl)-4-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-chlorophenyl)-4-methyl-2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(2-chlorophenyl)-4-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2-chlorophenyl)-4-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazino]methyl]-1,2,4-triazole-3-thione Formula: C21H21ClF3N5S MolecularWeight: 467.93815

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4Cl

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClF3N5S/c1-27-19(17-7-2-3-8-18(17)22)26-30(20(27)31)14-28-9-11-29(12-10-28)16-6-4-5-15(13-16)21(23,24)25/h2-8,13H,9-12,14H2,1H3