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

Systemtic Name: 5-(4-fluorophenyl)-4-prop-2-enyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(4-fluorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-fluorophenyl)-4-prop-2-enyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-fluorophenyl)-4-prop-2-enyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(4-fluorophenyl)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H23FN7S+ MolecularWeight: 412.506923

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FN7S/c1-2-10-27-18(16-4-6-17(21)7-5-16)24-28(20(27)29)15-25-11-13-26(14-12-25)19-22-8-3-9-23-19/h2-9H,1,10-15H2/p+1