2-[3-oxidanylidene-3-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)propyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[3-oxidanylidene-3-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)propyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-oxo-3-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)propyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-oxo-3-[2-(prop-2-ynylthio)-1-benzimidazolyl]propyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-oxo-3-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)propyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-keto-3-[2-(propargylthio)benzimidazol-1-yl]propyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H17N3O3S MolecularWeight: 439.48578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC2=CC=CC=C2N1C(=O)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C#CCSC1=NC2=CC=CC=C2N1C(=O)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C25H17N3O3S/c1-2-15-32-25-26-19-11-3-4-12-20(19)28(25)21(29)13-14-27-23(30)17-9-5-7-16-8-6-10-18(22(16)17)24(27)31/h1,3-12H,13-15H2