2-[2-(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(6-methyl-4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(6-methyl-4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-keto-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C29H21N3O3S2 MolecularWeight: 523.62534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

InChI

InChI=1S/C29H21N3O3S2/c1-18-23(19-10-4-2-5-11-19)24-25(37-18)30-29(32(28(24)35)20-12-6-3-7-13-20)36-17-16-31-26(33)21-14-8-9-15-22(21)27(31)34/h2-15H,16-17H2,1H3