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

Systemtic Name: 4-[4-(4-tert-butylphenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one Openeye Name: 4-[4-(4-tert-butylphenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one CAS Name: 4-[4-(4-tert-butylphenoxy)but-2-ynyl-methylamino]-1-benzothiopyran-2-one IUPAC Name: 4-[4-(4-tert-butylphenoxy)but-2-ynyl-methylamino]thiochromen-2-one Traditional Name: 4-[4-(4-tert-butylphenoxy)but-2-ynyl-methyl-amino]thiochromen-2-one Formula: C24H25NO2S MolecularWeight: 391.5258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO2S/c1-24(2,3)18-11-13-19(14-12-18)27-16-8-7-15-25(4)21-17-23(26)28-22-10-6-5-9-20(21)22/h5-6,9-14,17H,15-16H2,1-4H3