4-[4-(4-bromanylphenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one

Systemtic Name: 4-[4-(4-bromanylphenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one Openeye Name: 4-[4-(4-bromophenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one CAS Name: 4-[4-(4-bromophenoxy)but-2-ynyl-methylamino]-1-benzothiopyran-2-one IUPAC Name: 4-[4-(4-bromophenoxy)but-2-ynyl-methylamino]thiochromen-2-one Traditional Name: 4-[4-(4-bromophenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one Formula: C20H16BrNO2S MolecularWeight: 414.31554

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CCOC1=CC=C(C=C1)Br)C2=CC(=O)SC3=CC=CC=C32

Isomeric SMILES

CN(CC#CCOC1=CC=C(C=C1)Br)C2=CC(=O)SC3=CC=CC=C32

InChI

InChI=1S/C20H16BrNO2S/c1-22(12-4-5-13-24-16-10-8-15(21)9-11-16)18-14-20(23)25-19-7-3-2-6-17(18)19/h2-3,6-11,14H,12-13H2,1H3