6,8-bis(bromanyl)-3-(4-methylphenyl)sulfanyl-3-(morpholin-4-ylmethyl)-2,4-dihydrochromen-4-ol

Systemtic Name: 6,8-bis(bromanyl)-3-(4-methylphenyl)sulfanyl-3-(morpholin-4-ylmethyl)-2,4-dihydrochromen-4-ol Openeye Name: 6,8-dibromo-3-(morpholinomethyl)-3-(p-tolylsulfanyl)chroman-4-ol CAS Name: 6,8-dibromo-3-[(4-methylphenyl)thio]-3-(4-morpholinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: 6,8-dibromo-3-(4-methylphenyl)sulfanyl-3-(morpholin-4-ylmethyl)-2,4-dihydrochromen-4-ol Traditional Name: 6,8-dibromo-3-(morpholinomethyl)-3-(p-tolylthio)chroman-4-ol Formula: C21H23Br2NO3S MolecularWeight: 529.28522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(COC3=C(C=C(C=C3C2O)Br)Br)CN4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2(COC3=C(C=C(C=C3C2O)Br)Br)CN4CCOCC4

InChI

InChI=1S/C21H23Br2NO3S/c1-14-2-4-16(5-3-14)28-21(12-24-6-8-26-9-7-24)13-27-19-17(20(21)25)10-15(22)11-18(19)23/h2-5,10-11,20,25H,6-9,12-13H2,1H3