3-(3-phthalazin-1-ylsulfanylpropyl)-1H-benzimidazol-2-one

Systemtic Name: 3-(3-phthalazin-1-ylsulfanylpropyl)-1H-benzimidazol-2-one Openeye Name: 3-(3-phthalazin-1-ylsulfanylpropyl)-1H-benzimidazol-2-one CAS Name: 3-[3-(1-phthalazinylthio)propyl]-1H-benzimidazol-2-one IUPAC Name: 3-(3-phthalazin-1-ylsulfanylpropyl)-1H-benzimidazol-2-one Traditional Name: 3-[3-(phthalazin-1-ylthio)propyl]-1H-benzimidazol-2-one Formula: C18H16N4OS MolecularWeight: 336.41084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C18H16N4OS/c23-18-20-15-8-3-4-9-16(15)22(18)10-5-11-24-17-14-7-2-1-6-13(14)12-19-21-17/h1-4,6-9,12H,5,10-11H2,(H,20,23)