2-[4-oxidanylidene-4-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)butyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[4-oxidanylidene-4-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-oxo-4-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-oxo-4-[2-(prop-2-ynylthio)-1-benzimidazolyl]butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-oxo-4-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)butyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-keto-4-[2-(propargylthio)benzimidazol-1-yl]butyl]benzo[de]isoquinoline-1,3-quinone Formula: C26H19N3O3S MolecularWeight: 453.51236

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC2=CC=CC=C2N1C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C#CCSC1=NC2=CC=CC=C2N1C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C26H19N3O3S/c1-2-16-33-26-27-20-12-3-4-13-21(20)29(26)22(30)14-7-15-28-24(31)18-10-5-8-17-9-6-11-19(23(17)18)25(28)32/h1,3-6,8-13H,7,14-16H2