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

Systemtic Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazino]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C19H21FN6O2S2 MolecularWeight: 448.537443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)C4=CC=NC=C4

InChI

InChI=1S/C19H21FN6O2S2/c1-23-18(15-6-8-21-9-7-15)22-26(19(23)29)14-24-10-12-25(13-11-24)30(27,28)17-5-3-2-4-16(17)20/h2-9H,10-14H2,1H3