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

Systemtic Name: 4-cyclopropyl-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[4-(2-fluorobenzyl)piperazino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C22H25FN6S MolecularWeight: 424.537503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)CN3CCN(CC3)CC4=CC=CC=C4F)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)CN3CCN(CC3)CC4=CC=CC=C4F)C5=CN=CC=C5

InChI

InChI=1S/C22H25FN6S/c23-20-6-2-1-4-18(20)15-26-10-12-27(13-11-26)16-28-22(30)29(19-7-8-19)21(25-28)17-5-3-9-24-14-17/h1-6,9,14,19H,7-8,10-13,15-16H2