4-(1-tert-butyl-2,3,4-triphenyl-1,2,4-triazolidin-3-yl)-5-(phenylmethylsulfanyl)-1H-pyridazin-6-one

Systemtic Name: 4-(1-tert-butyl-2,3,4-triphenyl-1,2,4-triazolidin-3-yl)-5-(phenylmethylsulfanyl)-1H-pyridazin-6-one Openeye Name: 5-benzylsulfanyl-4-(1-tert-butyl-2,3,4-triphenyl-1,2,4-triazolidin-3-yl)-1H-pyridazin-6-one CAS Name: 4-(1-tert-butyl-2,3,4-triphenyl-1,2,4-triazolidin-3-yl)-5-(phenylmethylthio)-1H-pyridazin-6-one IUPAC Name: 5-benzylsulfanyl-4-(1-tert-butyl-2,3,4-triphenyl-1,2,4-triazolidin-3-yl)-1H-pyridazin-6-one Traditional Name: 5-(benzylthio)-4-(1-tert-butyl-2,3,4-triphenyl-1,2,4-triazolidin-3-yl)-1H-pyridazin-6-one Formula: C35H35N5OS MolecularWeight: 573.7503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CN(C(N1C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(C(=O)NN=C4)SCC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)N1CN(C(N1C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(C(=O)NN=C4)SCC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H35N5OS/c1-34(2,3)39-26-38(29-20-12-6-13-21-29)35(28-18-10-5-11-19-28,40(39)30-22-14-7-15-23-30)31-24-36-37-33(41)32(31)42-25-27-16-8-4-9-17-27/h4-24H,25-26H2,1-3H3,(H,37,41)