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

Systemtic Name: 5-(4-fluorophenyl)-4-prop-2-enyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(4-fluorophenyl)-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-fluorophenyl)-4-prop-2-enyl-2-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-fluorophenyl)-4-prop-2-enyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(4-fluorophenyl)-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C21H25FN6S+2 MolecularWeight: 412.526803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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