2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C25H26N7OS+ MolecularWeight: 472.58524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C25H25N7OS/c33-23(31-15-13-30(14-16-31)18-20-8-11-26-12-9-20)19-34-25-29-28-24(21-5-4-10-27-17-21)32(25)22-6-2-1-3-7-22/h1-12,17H,13-16,18-19H2/p+1