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

Systemtic Name: 6,8-bis(bromanyl)-3-(4-chlorophenyl)sulfanyl-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one Openeye Name: 6,8-dibromo-3-(4-chlorophenyl)sulfanyl-3-(pyrrolidin-1-ylmethyl)chroman-4-one CAS Name: 6,8-dibromo-3-[(4-chlorophenyl)thio]-3-(1-pyrrolidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6,8-dibromo-3-(4-chlorophenyl)sulfanyl-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one Traditional Name: 6,8-dibromo-3-[(4-chlorophenyl)thio]-3-(pyrrolidinomethyl)chroman-4-one Formula: C20H18Br2ClNO2S MolecularWeight: 531.68842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Br2ClNO2S/c21-13-9-16-18(17(22)10-13)26-12-20(19(16)25,11-24-7-1-2-8-24)27-15-5-3-14(23)4-6-15/h3-6,9-10H,1-2,7-8,11-12H2