3-bromanyl-6-methoxy-2-(4-methylsulfanylphenyl)chromen-4-one

Systemtic Name: 3-bromanyl-6-methoxy-2-(4-methylsulfanylphenyl)chromen-4-one Openeye Name: 3-bromo-6-methoxy-2-(4-methylsulfanylphenyl)chromen-4-one CAS Name: 3-bromo-6-methoxy-2-[4-(methylthio)phenyl]-1-benzopyran-4-one IUPAC Name: 3-bromo-6-methoxy-2-(4-methylsulfanylphenyl)chromen-4-one Traditional Name: 3-bromo-6-methoxy-2-[4-(methylthio)phenyl]chromone Formula: C17H13BrO3S MolecularWeight: 377.25232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=C(C2=O)Br)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=C(C2=O)Br)C3=CC=C(C=C3)SC

InChI

InChI=1S/C17H13BrO3S/c1-20-11-5-8-14-13(9-11)16(19)15(18)17(21-14)10-3-6-12(22-2)7-4-10/h3-9H,1-2H3