1-[1,3-bis(4-chlorophenyl)-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl]butane-1,3-dione

Systemtic Name: 1-[1,3-bis(4-chlorophenyl)-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl]butane-1,3-dione Openeye Name: 1-[1,3-bis(4-chlorophenyl)-4-hydroxy-6-oxo-2-thioxo-pyrimidin-5-yl]butane-1,3-dione CAS Name: 1-[1,3-bis(4-chlorophenyl)-4-hydroxy-6-oxo-2-sulfanylidene-5-pyrimidinyl]butane-1,3-dione IUPAC Name: 1-[1,3-bis(4-chlorophenyl)-4-hydroxy-6-oxo-2-sulfanylidenepyrimidin-5-yl]butane-1,3-dione Traditional Name: 1-[1,3-bis(4-chlorophenyl)-4-hydroxy-6-keto-2-thioxo-pyrimidin-5-yl]butane-1,3-dione Formula: C20H14Cl2N2O4S MolecularWeight: 449.30716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(=O)CC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H14Cl2N2O4S/c1-11(25)10-16(26)17-18(27)23(14-6-2-12(21)3-7-14)20(29)24(19(17)28)15-8-4-13(22)5-9-15/h2-9,27H,10H2,1H3