1,3-bis(4-methylpiperazin-4-ium-1-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propane-1,3-dione

Systemtic Name: 1,3-bis(4-methylpiperazin-4-ium-1-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propane-1,3-dione Openeye Name: 1,3-bis(4-methylpiperazin-4-ium-1-yl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propane-1,3-dione CAS Name: 1,3-bis(4-methyl-1-piperazin-4-iumyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propane-1,3-dione IUPAC Name: 1,3-bis(4-methylpiperazin-4-ium-1-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propane-1,3-dione Traditional Name: 1,3-bis(4-methylpiperazin-4-ium-1-yl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propane-1,3-dione Formula: C26H34N8O2S+2 MolecularWeight: 522.66556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(C(=O)N2CC[NH+](CC2)C)SC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C(C(=O)N2CC[NH+](CC2)C)SC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C26H32N8O2S/c1-30-11-15-32(16-12-30)24(35)22(25(36)33-17-13-31(2)14-18-33)37-26-29-28-23(20-7-6-10-27-19-20)34(26)21-8-4-3-5-9-21/h3-10,19,22H,11-18H2,1-2H3/p+2