(3E)-3-[4-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-ylidene]-8-methyl-chromene-2,4-dione

Systemtic Name: (3E)-3-[4-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-ylidene]-8-methyl-chromene-2,4-dione Openeye Name: (3E)-3-[2-benzylsulfanyl-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]-8-methyl-chromane-2,4-dione CAS Name: (3E)-3-[4-(4-methoxyphenyl)-2-(phenylmethylthio)-1H-pyrimidin-6-ylidene]-8-methyl-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: (3E)-3-[2-benzylsulfanyl-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]-8-methylchromene-2,4-dione Traditional Name: (3E)-3-[2-(benzylthio)-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]-8-methyl-chroman-2,4-quinone Formula: C28H22N2O4S MolecularWeight: 482.55028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC(=O)C(=C3C=C(N=C(N3)SCC4=CC=CC=C4)C5=CC=C(C=C5)OC)C2=O

Isomeric SMILES

CC1=CC=CC2=C1OC(=O)/C(=C/3\C=C(N=C(N3)SCC4=CC=CC=C4)C5=CC=C(C=C5)OC)/C2=O

InChI

InChI=1S/C28H22N2O4S/c1-17-7-6-10-21-25(31)24(27(32)34-26(17)21)23-15-22(19-11-13-20(33-2)14-12-19)29-28(30-23)35-16-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3,(H,29,30)/b24-23+