(4E)-4-[5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-3-hydroxy-4-[5-(4-methoxyphenyl)-2-thioxo-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: (4E)-3-hydroxy-4-[5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-3-hydroxy-4-[5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4E)-3-hydroxy-4-[5-(4-methoxyphenyl)-2-thioxo-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CNC(=S)NC2=C3C=CC(=O)C=C3O

Isomeric SMILES

COC1=CC=C(C=C1)C\2=CNC(=S)N/C2=C/3\C=CC(=O)C=C3O

InChI

InChI=1S/C17H14N2O3S/c1-22-12-5-2-10(3-6-12)14-9-18-17(23)19-16(14)13-7-4-11(20)8-15(13)21/h2-9,21H,1H3,(H2,18,19,23)/b16-13+