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

Systemtic Name: 4-propan-2-yl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-isopropyl-2-[[4-(3-pyridylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-propan-2-yl-2-[[4-(3-pyridinylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-propan-2-yl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-isopropyl-2-[[4-(3-pyridylmethyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C16H24N6S MolecularWeight: 332.46696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN(C1=S)CN2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC(C)N1C=NN(C1=S)CN2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C16H24N6S/c1-14(2)21-12-18-22(16(21)23)13-20-8-6-19(7-9-20)11-15-4-3-5-17-10-15/h3-5,10,12,14H,6-9,11,13H2,1-2H3