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

Systemtic Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C21H25FN6S+2 MolecularWeight: 412.526803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5F

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5F

InChI

InChI=1S/C21H23FN6S/c22-18-6-2-1-5-17(18)20-24-27(21(29)28(20)16-8-9-16)15-25-11-13-26(14-12-25)19-7-3-4-10-23-19/h1-7,10,16H,8-9,11-15H2/p+2