1,3-bis(2-methylphenyl)-5-(2-oxidanylidenepropyl)-2-sulfanylidene-5H-chromeno[2,3-d]pyrimidin-4-one

Systemtic Name: 1,3-bis(2-methylphenyl)-5-(2-oxidanylidenepropyl)-2-sulfanylidene-5H-chromeno[2,3-d]pyrimidin-4-one Openeye Name: 5-acetonyl-1,3-bis(o-tolyl)-2-thioxo-5H-chromeno[2,3-d]pyrimidin-4-one CAS Name: 1,3-bis(2-methylphenyl)-5-(2-oxopropyl)-2-sulfanylidene-5H-[1]benzopyrano[2,3-d]pyrimidin-4-one IUPAC Name: 1,3-bis(2-methylphenyl)-5-(2-oxopropyl)-2-sulfanylidene-5H-chromeno[2,3-d]pyrimidin-4-one Traditional Name: 5-acetonyl-1,3-bis(o-tolyl)-2-thioxo-5H-chromeno[2,3-d]pyrimidin-4-one Formula: C28H24N2O3S MolecularWeight: 468.56676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(C4=CC=CC=C4O3)CC(=O)C)C(=O)N(C2=S)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(C4=CC=CC=C4O3)CC(=O)C)C(=O)N(C2=S)C5=CC=CC=C5C

InChI

InChI=1S/C28H24N2O3S/c1-17-10-4-7-13-22(17)29-26(32)25-21(16-19(3)31)20-12-6-9-15-24(20)33-27(25)30(28(29)34)23-14-8-5-11-18(23)2/h4-15,21H,16H2,1-3H3