4-ethyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C19H23FN5S2+ MolecularWeight: 404.547823

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C19H22FN5S2/c1-2-24-18(17-4-3-13-27-17)21-25(19(24)26)14-22-9-11-23(12-10-22)16-7-5-15(20)6-8-16/h3-8,13H,2,9-12,14H2,1H3/p+1