6,8-bis(bromanyl)-3-(4-methylphenyl)sulfanyl-3-(morpholin-4-ylmethyl)-2H-chromen-4-one hydrobromide

Systemtic Name: 6,8-bis(bromanyl)-3-(4-methylphenyl)sulfanyl-3-(morpholin-4-ylmethyl)-2H-chromen-4-one hydrobromide Openeye Name: 6,8-dibromo-3-(morpholinomethyl)-3-(p-tolylsulfanyl)chroman-4-one hydrobromide CAS Name: 6,8-dibromo-3-[(4-methylphenyl)thio]-3-(4-morpholinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one hydrobromide IUPAC Name: 6,8-dibromo-3-(4-methylphenyl)sulfanyl-3-(morpholin-4-ylmethyl)-2H-chromen-4-one hydrobromide Traditional Name: 6,8-dibromo-3-(morpholinomethyl)-3-(p-tolylthio)chroman-4-one hydrobromide Formula: C21H22Br3NO3S MolecularWeight: 608.18128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(COC3=C(C=C(C=C3C2=O)Br)Br)CN4CCOCC4.Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2(COC3=C(C=C(C=C3C2=O)Br)Br)CN4CCOCC4.Br

InChI

InChI=1S/C21H21Br2NO3S.BrH/c1-14-2-4-16(5-3-14)28-21(12-24-6-8-26-9-7-24)13-27-19-17(20(21)25)10-15(22)11-18(19)23;/h2-5,10-11H,6-9,12-13H2,1H3;1H