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

Systemtic Name: 6-methyl-4-[[4-(4-phenyl-2-sulfanylidene-1H-pyrimidin-6-yl)phenoxy]methyl]chromen-2-one Openeye Name: 6-methyl-4-[[4-(4-phenyl-2-thioxo-1H-pyrimidin-6-yl)phenoxy]methyl]chromen-2-one CAS Name: 6-methyl-4-[[4-(4-phenyl-2-sulfanylidene-1H-pyrimidin-6-yl)phenoxy]methyl]-1-benzopyran-2-one IUPAC Name: 6-methyl-4-[[4-(4-phenyl-2-sulfanylidene-1H-pyrimidin-6-yl)phenoxy]methyl]chromen-2-one Traditional Name: 6-methyl-4-[[4-(4-phenyl-2-thioxo-1H-pyrimidin-6-yl)phenoxy]methyl]coumarin Formula: C27H20N2O3S MolecularWeight: 452.5243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C=C2COC3=CC=C(C=C3)C4=CC(=NC(=S)N4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C=C2COC3=CC=C(C=C3)C4=CC(=NC(=S)N4)C5=CC=CC=C5

InChI

InChI=1S/C27H20N2O3S/c1-17-7-12-25-22(13-17)20(14-26(30)32-25)16-31-21-10-8-19(9-11-21)24-15-23(28-27(33)29-24)18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,28,29,33)