1-[3-[4-(2,4-dimethylphenoxy)but-2-ynylsulfanyl]indol-1-yl]ethanone

Systemtic Name: 1-[3-[4-(2,4-dimethylphenoxy)but-2-ynylsulfanyl]indol-1-yl]ethanone Openeye Name: 1-[3-[4-(2,4-dimethylphenoxy)but-2-ynylsulfanyl]indol-1-yl]ethanone CAS Name: 1-[3-[4-(2,4-dimethylphenoxy)but-2-ynylthio]-1-indolyl]ethanone IUPAC Name: 1-[3-[4-(2,4-dimethylphenoxy)but-2-ynylsulfanyl]indol-1-yl]ethanone Traditional Name: 1-[3-[4-(2,4-dimethylphenoxy)but-2-ynylthio]indol-1-yl]ethanone Formula: C22H21NO2S MolecularWeight: 363.47264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC#CCSC2=CN(C3=CC=CC=C32)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC#CCSC2=CN(C3=CC=CC=C32)C(=O)C)C

InChI

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