2-[4-(4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(4-keto-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C30H23N3O3S2 MolecularWeight: 537.65192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

InChI

InChI=1S/C30H23N3O3S2/c34-27-22-15-7-8-16-23(22)28(35)32(27)17-9-10-18-37-30-31-26-25(24(19-38-26)20-11-3-1-4-12-20)29(36)33(30)21-13-5-2-6-14-21/h1-8,11-16,19H,9-10,17-18H2