3,5-bis(chloranyl)-4-[4-(4-chloranyl-3-methoxy-phenyl)-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-(4-chloranyl-3-methoxy-phenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-3-oxidanyl-1H-imidazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 3,5-dichloro-4-[4-(4-chloro-3-methoxy-phenyl)-3-hydroxy-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 3,5-dichloro-4-[4-(4-chloro-3-methoxyphenyl)-3-hydroxy-5-[2-(methylthio)-4-pyrimidinyl]-1H-imidazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 3,5-dichloro-4-[4-(4-chloro-3-methoxyphenyl)-3-hydroxy-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 3,5-dichloro-4-[5-(4-chloro-3-methoxy-phenyl)-1-hydroxy-4-[2-(methylthio)pyrimidin-4-yl]-4-imidazolin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H15Cl3N4O3S MolecularWeight: 509.7928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(NC(=C3C(=CC(=O)C=C3Cl)Cl)N2O)C4=NC(=NC=C4)SC)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(NC(=C3C(=CC(=O)C=C3Cl)Cl)N2O)C4=NC(=NC=C4)SC)Cl

InChI

InChI=1S/C21H15Cl3N4O3S/c1-31-16-7-10(3-4-12(16)22)19-18(15-5-6-25-21(26-15)32-2)27-20(28(19)30)17-13(23)8-11(29)9-14(17)24/h3-9,27,30H,1-2H3