(2S,3S)-6,8-bis(bromanyl)-3-(4-methylphenyl)sulfanyl-2-phenyl-2,3-dihydrochromen-4-one

Systemtic Name: (2S,3S)-6,8-bis(bromanyl)-3-(4-methylphenyl)sulfanyl-2-phenyl-2,3-dihydrochromen-4-one Openeye Name: (2S,3S)-6,8-dibromo-2-phenyl-3-(p-tolylsulfanyl)chroman-4-one CAS Name: (2S,3S)-6,8-dibromo-3-[(4-methylphenyl)thio]-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (2S,3S)-6,8-dibromo-3-(4-methylphenyl)sulfanyl-2-phenyl-2,3-dihydrochromen-4-one Traditional Name: (2S,3S)-6,8-dibromo-2-phenyl-3-(p-tolylthio)chroman-4-one Formula: C22H16Br2O2S MolecularWeight: 504.23424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C(OC3=C(C=C(C=C3C2=O)Br)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H]2[C@@H](OC3=C(C=C(C=C3C2=O)Br)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H16Br2O2S/c1-13-7-9-16(10-8-13)27-22-19(25)17-11-15(23)12-18(24)21(17)26-20(22)14-5-3-2-4-6-14/h2-12,20,22H,1H3/t20-,22+/m0/s1