4-(phenylmethyl)-2-[[4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]phthalazin-1-one

Systemtic Name: 4-(phenylmethyl)-2-[[4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Openeye Name: 4-benzyl-2-[(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-one CAS Name: 4-(phenylmethyl)-2-[[4-phenyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 4-benzyl-2-[(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Traditional Name: 4-benzyl-2-[[5-(benzylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C31H25N5OS MolecularWeight: 515.6281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CC4=NN=C(N4C5=CC=CC=C5)SCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CC4=NN=C(N4C5=CC=CC=C5)SCC6=CC=CC=C6

InChI

InChI=1S/C31H25N5OS/c37-30-27-19-11-10-18-26(27)28(20-23-12-4-1-5-13-23)34-35(30)21-29-32-33-31(36(29)25-16-8-3-9-17-25)38-22-24-14-6-2-7-15-24/h1-19H,20-22H2