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

Systemtic Name: 6,8-bis(bromanyl)-7-methyl-3-phenylsulfanyl-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one hydrochloride Openeye Name: 6,8-dibromo-7-methyl-3-phenylsulfanyl-3-(pyrrolidin-1-ylmethyl)chroman-4-one hydrochloride CAS Name: 6,8-dibromo-7-methyl-3-(phenylthio)-3-(1-pyrrolidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one hydrochloride IUPAC Name: 6,8-dibromo-7-methyl-3-phenylsulfanyl-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one hydrochloride Traditional Name: 6,8-dibromo-7-methyl-3-(phenylthio)-3-(pyrrolidinomethyl)chroman-4-one hydrochloride Formula: C21H22Br2ClNO2S MolecularWeight: 547.73088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Br2NO2S.ClH/c1-14-17(22)11-16-19(18(14)23)26-13-21(20(16)25,12-24-9-5-6-10-24)27-15-7-3-2-4-8-15;/h2-4,7-8,11H,5-6,9-10,12-13H2,1H3;1H