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

Systemtic Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C19H21FN5S+ MolecularWeight: 370.466943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N(C=N2)C3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N(C=N2)C3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C19H20FN5S/c20-17-8-4-5-9-18(17)23-12-10-22(11-13-23)15-25-19(26)24(14-21-25)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2/p+1