3-dibenzothiophen-4-yl-4-[1-(3-oxidanylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-dibenzothiophen-4-yl-4-[1-(3-oxidanylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione Openeye Name: 3-dibenzothiophen-4-yl-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione CAS Name: 3-(4-dibenzothiophenyl)-4-[1-(3-hydroxypropyl)-3-pyrrolo[2,3-b]pyridinyl]pyrrole-2,5-dione IUPAC Name: 3-dibenzothiophen-4-yl-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione Traditional Name: 3-dibenzothiophen-4-yl-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-3-pyrroline-2,5-quinone Formula: C26H19N3O3S MolecularWeight: 453.51236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C4=C(C(=O)NC4=O)C5=CN(C6=C5C=CC=N6)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C4=C(C(=O)NC4=O)C5=CN(C6=C5C=CC=N6)CCCO

InChI

InChI=1S/C26H19N3O3S/c30-13-5-12-29-14-19(17-9-4-11-27-24(17)29)22-21(25(31)28-26(22)32)18-8-3-7-16-15-6-1-2-10-20(15)33-23(16)18/h1-4,6-11,14,30H,5,12-13H2,(H,28,31,32)