6-chloranyl-4-[[4-(4-phenyl-2-sulfanylidene-1H-pyrimidin-6-yl)phenoxy]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(4-phenyl-2-sulfanylidene-1H-pyrimidin-6-yl)phenoxy]methyl]chromen-2-one Openeye Name: 6-chloro-4-[[4-(4-phenyl-2-thioxo-1H-pyrimidin-6-yl)phenoxy]methyl]chromen-2-one CAS Name: 6-chloro-4-[[4-(4-phenyl-2-sulfanylidene-1H-pyrimidin-6-yl)phenoxy]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(4-phenyl-2-sulfanylidene-1H-pyrimidin-6-yl)phenoxy]methyl]chromen-2-one Traditional Name: 6-chloro-4-[[4-(4-phenyl-2-thioxo-1H-pyrimidin-6-yl)phenoxy]methyl]coumarin Formula: C26H17ClN2O3S MolecularWeight: 472.94278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=S)NC(=C2)C3=CC=C(C=C3)OCC4=CC(=O)OC5=C4C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=S)NC(=C2)C3=CC=C(C=C3)OCC4=CC(=O)OC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C26H17ClN2O3S/c27-19-8-11-24-21(13-19)18(12-25(30)32-24)15-31-20-9-6-17(7-10-20)23-14-22(28-26(33)29-23)16-4-2-1-3-5-16/h1-14H,15H2,(H,28,29,33)