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

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione Formula: C17H19FN5S2+ MolecularWeight: 376.494663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N=C(N2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N=C(N2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C17H18FN5S2/c18-13-3-5-14(6-4-13)22-9-7-21(8-10-22)12-23-17(24)19-16(20-23)15-2-1-11-25-15/h1-6,11H,7-10,12H2,(H,19,20,24)/p+1