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

Systemtic Name: 5-(4-fluorophenyl)-4-prop-2-enyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(4-fluorophenyl)-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-fluorophenyl)-4-prop-2-enyl-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-fluorophenyl)-4-prop-2-enyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(4-fluorophenyl)-2-[[4-(2-pyridyl)piperazino]methyl]-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=CC=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C=CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=N3)C4=CC=C(C=C4)F

InChI

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