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

Systemtic Name: 6,8-bis(bromanyl)-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(morpholin-4-ylmethyl)-2H-chromen-4-one Openeye Name: 6,8-dibromo-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(morpholinomethyl)chroman-4-one CAS Name: 6,8-dibromo-3-[(4-chlorophenyl)thio]-7-methyl-3-(4-morpholinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6,8-dibromo-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(morpholin-4-ylmethyl)-2H-chromen-4-one Traditional Name: 6,8-dibromo-3-[(4-chlorophenyl)thio]-7-methyl-3-(morpholinomethyl)chroman-4-one Formula: C21H20Br2ClNO3S MolecularWeight: 561.7144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1Br)OCC(C2=O)(CN3CCOCC3)SC4=CC=C(C=C4)Cl)Br

Isomeric SMILES

CC1=C(C=C2C(=C1Br)OCC(C2=O)(CN3CCOCC3)SC4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C21H20Br2ClNO3S/c1-13-17(22)10-16-19(18(13)23)28-12-21(20(16)26,11-25-6-8-27-9-7-25)29-15-4-2-14(24)3-5-15/h2-5,10H,6-9,11-12H2,1H3