3,5-bis(chloranyl)-4-[4-(3-iodanylphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-3-oxidanyl-1H-imidazol-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 3,5-bis(chloranyl)-4-[4-(3-iodanylphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-3-oxidanyl-1H-imidazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 3,5-dichloro-4-[3-hydroxy-4-(3-iodophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 3,5-dichloro-4-[3-hydroxy-4-(3-iodophenyl)-5-[2-(methylthio)-4-pyrimidinyl]-1H-imidazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 3,5-dichloro-4-[3-hydroxy-4-(3-iodophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 3,5-dichloro-4-[1-hydroxy-5-(3-iodophenyl)-4-[2-(methylthio)pyrimidin-4-yl]-4-imidazolin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C20H13Cl2IN4O2S MolecularWeight: 571.21829

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C20H13Cl2IN4O2S/c1-30-20-24-6-5-15(25-20)17-18(10-3-2-4-11(23)7-10)27(29)19(26-17)16-13(21)8-12(28)9-14(16)22/h2-9,26,29H,1H3