4-[4-(4-chloranyl-3,5-dimethyl-phenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one

Systemtic Name: 4-[4-(4-chloranyl-3,5-dimethyl-phenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one Openeye Name: 4-[4-(4-chloro-3,5-dimethyl-phenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one CAS Name: 4-[4-(4-chloro-3,5-dimethylphenoxy)but-2-ynyl-methylamino]-1-benzothiopyran-2-one IUPAC Name: 4-[4-(4-chloro-3,5-dimethylphenoxy)but-2-ynyl-methylamino]thiochromen-2-one Traditional Name: 4-[4-(4-chloro-3,5-dimethyl-phenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one Formula: C22H20ClNO2S MolecularWeight: 397.9177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC#CCN(C)C2=CC(=O)SC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC#CCN(C)C2=CC(=O)SC3=CC=CC=C32

InChI

InChI=1S/C22H20ClNO2S/c1-15-12-17(13-16(2)22(15)23)26-11-7-6-10-24(3)19-14-21(25)27-20-9-5-4-8-18(19)20/h4-5,8-9,12-14H,10-11H2,1-3H3