2-[[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C25H19N3O3S2 MolecularWeight: 473.56666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCN4C(=O)C5=CC=CC=C5C4=O)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCN4C(=O)C5=CC=CC=C5C4=O)CC=C

InChI

InChI=1S/C25H19N3O3S2/c1-3-12-27-24(31)20-19(16-10-8-15(2)9-11-16)13-32-21(20)26-25(27)33-14-28-22(29)17-6-4-5-7-18(17)23(28)30/h3-11,13H,1,12,14H2,2H3