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

Systemtic Name: 5-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C22H25FN5S+ MolecularWeight: 410.530803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CC1C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H24FN5S/c23-18-8-10-19(11-9-18)26-14-12-25(13-15-26)16-27-22(29)28(20-4-2-1-3-5-20)21(24-27)17-6-7-17/h1-5,8-11,17H,6-7,12-16H2/p+1