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

Systemtic Name: 6,8-bis(bromanyl)-3-phenylsulfanyl-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one hydrochloride Openeye Name: 6,8-dibromo-3-phenylsulfanyl-3-(pyrrolidin-1-ylmethyl)chroman-4-one hydrochloride CAS Name: 6,8-dibromo-3-(phenylthio)-3-(1-pyrrolidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one hydrochloride IUPAC Name: 6,8-dibromo-3-phenylsulfanyl-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one hydrochloride Traditional Name: 6,8-dibromo-3-(phenylthio)-3-(pyrrolidinomethyl)chroman-4-one hydrochloride Formula: C20H20Br2ClNO2S MolecularWeight: 533.7043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2(COC3=C(C=C(C=C3C2=O)Br)Br)SC4=CC=CC=C4.Cl

Isomeric SMILES

C1CCN(C1)CC2(COC3=C(C=C(C=C3C2=O)Br)Br)SC4=CC=CC=C4.Cl

InChI

InChI=1S/C20H19Br2NO2S.ClH/c21-14-10-16-18(17(22)11-14)25-13-20(19(16)24,12-23-8-4-5-9-23)26-15-6-2-1-3-7-15;/h1-3,6-7,10-11H,4-5,8-9,12-13H2;1H