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

Systemtic Name: 6,8-bis(bromanyl)-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one Openeye Name: 6,8-dibromo-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(pyrrolidin-1-ylmethyl)chroman-4-one CAS Name: 6,8-dibromo-3-[(4-chlorophenyl)thio]-7-methyl-3-(1-pyrrolidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6,8-dibromo-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one Traditional Name: 6,8-dibromo-3-[(4-chlorophenyl)thio]-7-methyl-3-(pyrrolidinomethyl)chroman-4-one Formula: C21H20Br2ClNO2S MolecularWeight: 545.715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1Br)OCC(C2=O)(CN3CCCC3)SC4=CC=C(C=C4)Cl)Br

Isomeric SMILES

CC1=C(C=C2C(=C1Br)OCC(C2=O)(CN3CCCC3)SC4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C21H20Br2ClNO2S/c1-13-17(22)10-16-19(18(13)23)27-12-21(20(16)26,11-25-8-2-3-9-25)28-15-6-4-14(24)5-7-15/h4-7,10H,2-3,8-9,11-12H2,1H3