4-[methyl-[4-(3-methylphenoxy)but-2-ynyl]amino]thiochromen-2-one

Systemtic Name: 4-[methyl-[4-(3-methylphenoxy)but-2-ynyl]amino]thiochromen-2-one Openeye Name: 4-[methyl-[4-(3-methylphenoxy)but-2-ynyl]amino]thiochromen-2-one CAS Name: 4-[methyl-[4-(3-methylphenoxy)but-2-ynyl]amino]-1-benzothiopyran-2-one IUPAC Name: 4-[methyl-[4-(3-methylphenoxy)but-2-ynyl]amino]thiochromen-2-one Traditional Name: 4-[methyl-[4-(3-methylphenoxy)but-2-ynyl]amino]thiochromen-2-one Formula: C21H19NO2S MolecularWeight: 349.44606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO2S/c1-16-8-7-9-17(14-16)24-13-6-5-12-22(2)19-15-21(23)25-20-11-4-3-10-18(19)20/h3-4,7-11,14-15H,12-13H2,1-2H3