4-ethyl-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[4-(2-fluorobenzyl)piperazino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H25FN6S MolecularWeight: 412.526803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC=CC=C3F)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC=CC=C3F)C4=CC=NC=C4

InChI

InChI=1S/C21H25FN6S/c1-2-27-20(17-7-9-23-10-8-17)24-28(21(27)29)16-26-13-11-25(12-14-26)15-18-5-3-4-6-19(18)22/h3-10H,2,11-16H2,1H3