(3S)-6,8-bis(bromanyl)-3-(diethylaminomethyl)-3-(4-methylphenyl)sulfanyl-2H-chromen-4-one

Systemtic Name: (3S)-6,8-bis(bromanyl)-3-(diethylaminomethyl)-3-(4-methylphenyl)sulfanyl-2H-chromen-4-one Openeye Name: (3S)-6,8-dibromo-3-(diethylaminomethyl)-3-(p-tolylsulfanyl)chroman-4-one CAS Name: (3S)-6,8-dibromo-3-(diethylaminomethyl)-3-[(4-methylphenyl)thio]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3S)-6,8-dibromo-3-(diethylaminomethyl)-3-(4-methylphenyl)sulfanyl-2H-chromen-4-one Traditional Name: (3S)-6,8-dibromo-3-(diethylaminomethyl)-3-(p-tolylthio)chroman-4-one Formula: C21H23Br2NO2S MolecularWeight: 513.28582

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1(COC2=C(C=C(C=C2C1=O)Br)Br)SC3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)C[C@@]1(COC2=C(C=C(C=C2C1=O)Br)Br)SC3=CC=C(C=C3)C

InChI

InChI=1S/C21H23Br2NO2S/c1-4-24(5-2)12-21(27-16-8-6-14(3)7-9-16)13-26-19-17(20(21)25)10-15(22)11-18(19)23/h6-11H,4-5,12-13H2,1-3H3/t21-/m0/s1