4,5-diphenyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4,5-diphenyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-diphenyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-diphenyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-diphenyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-diphenyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C23H24N7S+ MolecularWeight: 430.54856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C23H23N7S/c31-23-29(18-27-14-16-28(17-15-27)22-24-12-7-13-25-22)26-21(19-8-3-1-4-9-19)30(23)20-10-5-2-6-11-20/h1-13H,14-18H2/p+1