(E)-but-2-enedioic acid; 6-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine

Systemtic Name: (E)-but-2-enedioic acid; 6-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine Openeye Name: 6-[3-(4-benzhydryloxy-1-piperidyl)propylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-[3-[4-(diphenylmethyl)oxy-1-piperidinyl]propylthio]-[1,2,4]triazolo[4,3-b]pyridazine IUPAC Name: 6-[3-(4-benzhydryloxypiperidin-1-yl)propylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine; (E)-but-2-enedioic acid Traditional Name: 6-[3-(4-benzhydryloxypiperidino)propylthio]-[1,2,4]triazolo[4,3-b]pyridazine; fumaric acid Formula: C30H33N5O5S MolecularWeight: 575.67852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCSC4=NN5C=NN=C5C=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCSC4=NN5C=NN=C5C=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H29N5OS.C4H4O4/c1-3-8-21(9-4-1)26(22-10-5-2-6-11-22)32-23-14-17-30(18-15-23)16-7-19-33-25-13-12-24-28-27-20-31(24)29-25;5-3(6)1-2-4(7)8/h1-6,8-13,20,23,26H,7,14-19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+