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

Systemtic Name: 1,3-bis(4-chlorophenyl)-5-(2-oxidanylidenepropyl)-2-sulfanylidene-5H-chromeno[2,3-d]pyrimidin-4-one Openeye Name: 5-acetonyl-1,3-bis(4-chlorophenyl)-2-thioxo-5H-chromeno[2,3-d]pyrimidin-4-one CAS Name: 1,3-bis(4-chlorophenyl)-5-(2-oxopropyl)-2-sulfanylidene-5H-[1]benzopyrano[2,3-d]pyrimidin-4-one IUPAC Name: 1,3-bis(4-chlorophenyl)-5-(2-oxopropyl)-2-sulfanylidene-5H-chromeno[2,3-d]pyrimidin-4-one Traditional Name: 5-acetonyl-1,3-bis(4-chlorophenyl)-2-thioxo-5H-chromeno[2,3-d]pyrimidin-4-one Formula: C26H18Cl2N2O3S MolecularWeight: 509.40372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C2=CC=CC=C2OC3=C1C(=O)N(C(=S)N3C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(=O)CC1C2=CC=CC=C2OC3=C1C(=O)N(C(=S)N3C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H18Cl2N2O3S/c1-15(31)14-21-20-4-2-3-5-22(20)33-25-23(21)24(32)29(18-10-6-16(27)7-11-18)26(34)30(25)19-12-8-17(28)9-13-19/h2-13,21H,14H2,1H3