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

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(4-fluorophenyl)piperazino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H23FN6S MolecularWeight: 410.510923

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C21H23FN6S/c1-2-11-27-20(17-7-9-23-10-8-17)24-28(21(27)29)16-25-12-14-26(15-13-25)19-5-3-18(22)4-6-19/h2-10H,1,11-16H2