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

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

Systemtic Name:4-[4-(2,4-dimethylphenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one
Openeye Name:4-[4-(2,4-dimethylphenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one
CAS Name:4-[4-(2,4-dimethylphenoxy)but-2-ynyl-methylamino]-1-benzothiopyran-2-one
IUPAC Name:4-[4-(2,4-dimethylphenoxy)but-2-ynyl-methylamino]thiochromen-2-one
Traditional Name:4-[4-(2,4-dimethylphenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one
Formula: C22H21NO2S
MolecularWeight: 363.47264
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC#CCN(C)C2=CC(=O)SC3=CC=CC=C32)C


Isomeric SMILES

CC1=CC(=C(C=C1)OCC#CCN(C)C2=CC(=O)SC3=CC=CC=C32)C


InChI

InChI=1S/C22H21NO2S/c1-16-10-11-20(17(2)14-16)25-13-7-6-12-23(3)19-15-22(24)26-21-9-5-4-8-18(19)21/h4-5,8-11,14-15H,12-13H2,1-3H3


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