(3E)-3-[4-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-ylidene]chromene-2,4-dione

Systemtic Name: (3E)-3-[4-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-ylidene]chromene-2,4-dione Openeye Name: (3E)-3-[2-benzylsulfanyl-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]chromane-2,4-dione CAS Name: (3E)-3-[4-(4-methoxyphenyl)-2-(phenylmethylthio)-1H-pyrimidin-6-ylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: (3E)-3-[2-benzylsulfanyl-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]chromene-2,4-dione Traditional Name: (3E)-3-[2-(benzylthio)-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]chroman-2,4-quinone Formula: C27H20N2O4S MolecularWeight: 468.5237

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C3C(=O)C4=CC=CC=C4OC3=O)NC(=N2)SCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C/C(=C\3/C(=O)C4=CC=CC=C4OC3=O)/NC(=N2)SCC5=CC=CC=C5

InChI

InChI=1S/C27H20N2O4S/c1-32-19-13-11-18(12-14-19)21-15-22(29-27(28-21)34-16-17-7-3-2-4-8-17)24-25(30)20-9-5-6-10-23(20)33-26(24)31/h2-15H,16H2,1H3,(H,28,29)/b24-22+