2-[2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(3-allyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(3-allyl-4-keto-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C25H19N3O3S2 MolecularWeight: 473.56666

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCCN3C(=O)C4=CC=CC=C4C3=O)SC(=C2)C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCCN3C(=O)C4=CC=CC=C4C3=O)SC(=C2)C5=CC=CC=C5

InChI

InChI=1S/C25H19N3O3S2/c1-2-12-28-24(31)19-15-20(16-8-4-3-5-9-16)33-21(19)26-25(28)32-14-13-27-22(29)17-10-6-7-11-18(17)23(27)30/h2-11,15H,1,12-14H2