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

Systemtic Name: 4-[4-(2-bromanylphenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one Openeye Name: 4-[4-(2-bromophenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one CAS Name: 4-[4-(2-bromophenoxy)but-2-ynyl-methylamino]-1-benzothiopyran-2-one IUPAC Name: 4-[4-(2-bromophenoxy)but-2-ynyl-methylamino]thiochromen-2-one Traditional Name: 4-[4-(2-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=CC=C1Br)C2=CC(=O)SC3=CC=CC=C32

Isomeric SMILES

CN(CC#CCOC1=CC=CC=C1Br)C2=CC(=O)SC3=CC=CC=C32

InChI

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