6,8-bis(bromanyl)-7-methyl-3-(4-methylphenyl)sulfanyl-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: 6,8-bis(bromanyl)-7-methyl-3-(4-methylphenyl)sulfanyl-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one Openeye Name: 6,8-dibromo-7-methyl-3-(p-tolylsulfanyl)-3-(pyrrolidin-1-ylmethyl)chroman-4-one CAS Name: 6,8-dibromo-7-methyl-3-[(4-methylphenyl)thio]-3-(1-pyrrolidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6,8-dibromo-7-methyl-3-(4-methylphenyl)sulfanyl-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one Traditional Name: 6,8-dibromo-7-methyl-3-(p-tolylthio)-3-(pyrrolidinomethyl)chroman-4-one Formula: C22H23Br2NO2S MolecularWeight: 525.29652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(COC3=C(C(=C(C=C3C2=O)Br)C)Br)CN4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2(COC3=C(C(=C(C=C3C2=O)Br)C)Br)CN4CCCC4

InChI

InChI=1S/C22H23Br2NO2S/c1-14-5-7-16(8-6-14)28-22(12-25-9-3-4-10-25)13-27-20-17(21(22)26)11-18(23)15(2)19(20)24/h5-8,11H,3-4,9-10,12-13H2,1-2H3