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

Systemtic Name: 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-isopropyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-chlorophenyl)piperazino]methyl]-4-isopropyl-1,2,4-triazole-3-thione Formula: C16H22ClN5S MolecularWeight: 351.89738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)N1C=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C16H22ClN5S/c1-13(2)21-11-18-22(16(21)23)12-19-7-9-20(10-8-19)15-6-4-3-5-14(15)17/h3-6,11,13H,7-10,12H2,1-2H3