(3S)-6-bromanyl-3-(diethylaminomethyl)-7-methyl-3-(4-methylphenyl)sulfanyl-2H-chromen-4-one

Systemtic Name: (3S)-6-bromanyl-3-(diethylaminomethyl)-7-methyl-3-(4-methylphenyl)sulfanyl-2H-chromen-4-one Openeye Name: (3S)-6-bromo-3-(diethylaminomethyl)-7-methyl-3-(p-tolylsulfanyl)chroman-4-one CAS Name: (3S)-6-bromo-3-(diethylaminomethyl)-7-methyl-3-[(4-methylphenyl)thio]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3S)-6-bromo-3-(diethylaminomethyl)-7-methyl-3-(4-methylphenyl)sulfanyl-2H-chromen-4-one Traditional Name: (3S)-6-bromo-3-(diethylaminomethyl)-7-methyl-3-(p-tolylthio)chroman-4-one Formula: C22H26BrNO2S MolecularWeight: 448.41634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO2S/c1-5-24(6-2)13-22(27-17-9-7-15(3)8-10-17)14-26-20-11-16(4)19(23)12-18(20)21(22)25/h7-12H,5-6,13-14H2,1-4H3/t22-/m0/s1