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

Systemtic Name: 4-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C20H23FN5S2+ MolecularWeight: 416.558523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C5=CC=CS5

InChI

InChI=1S/C20H22FN5S2/c21-15-3-5-16(6-4-15)24-11-9-23(10-12-24)14-25-20(27)26(17-7-8-17)19(22-25)18-2-1-13-28-18/h1-6,13,17H,7-12,14H2/p+1