4-[[3-[2-[2,6-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-5-(2-methylsulfanylpyrimidin-4-yl)-3-oxidanyl-1H-imidazol-4-yl]phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[2-[2,6-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-5-(2-methylsulfanylpyrimidin-4-yl)-3-oxidanyl-1H-imidazol-4-yl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[2-(2,6-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-hydroxy-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-4-yl]phenoxy]methyl]benzonitrile CAS Name: 4-[[3-[2-(2,6-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-3-hydroxy-5-[2-(methylthio)-4-pyrimidinyl]-1H-imidazol-4-yl]phenoxy]methyl]benzonitrile IUPAC Name: 4-[[3-[2-(2,6-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-3-hydroxy-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-4-yl]phenoxy]methyl]benzonitrile Traditional Name: 4-[[3-[2-(2,6-dichloro-4-keto-cyclohexa-2,5-dien-1-ylidene)-3-hydroxy-5-[2-(methylthio)pyrimidin-4-yl]-4-imidazolin-4-yl]phenoxy]methyl]benzonitrile Formula: C28H19Cl2N5O3S MolecularWeight: 576.45316

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=C(N(C(=C3C(=CC(=O)C=C3Cl)Cl)N2)O)C4=CC(=CC=C4)OCC5=CC=C(C=C5)C#N

Isomeric SMILES

CSC1=NC=CC(=N1)C2=C(N(C(=C3C(=CC(=O)C=C3Cl)Cl)N2)O)C4=CC(=CC=C4)OCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H19Cl2N5O3S/c1-39-28-32-10-9-23(33-28)25-26(35(37)27(34-25)24-21(29)12-19(36)13-22(24)30)18-3-2-4-20(11-18)38-15-17-7-5-16(14-31)6-8-17/h2-13,34,37H,15H2,1H3