8-(5-bromanylpentylsulfanyl)-3-methyl-2-phenyl-chromen-4-one

Systemtic Name: 8-(5-bromanylpentylsulfanyl)-3-methyl-2-phenyl-chromen-4-one Openeye Name: 8-(5-bromopentylsulfanyl)-3-methyl-2-phenyl-chromen-4-one CAS Name: 8-(5-bromopentylthio)-3-methyl-2-phenyl-1-benzopyran-4-one IUPAC Name: 8-(5-bromopentylsulfanyl)-3-methyl-2-phenylchromen-4-one Traditional Name: 8-(5-bromopentylthio)-3-methyl-2-phenyl-chromone Formula: C21H21BrO2S MolecularWeight: 417.35924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2SCCCCCBr)C3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2SCCCCCBr)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrO2S/c1-15-19(23)17-11-8-12-18(25-14-7-3-6-13-22)21(17)24-20(15)16-9-4-2-5-10-16/h2,4-5,8-12H,3,6-7,13-14H2,1H3