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

Systemtic Name: 1-[3-[4-(2-methylphenoxy)but-2-ynylsulfanyl]indol-1-yl]ethanone Openeye Name: 1-[3-[4-(2-methylphenoxy)but-2-ynylsulfanyl]indol-1-yl]ethanone CAS Name: 1-[3-[4-(2-methylphenoxy)but-2-ynylthio]-1-indolyl]ethanone IUPAC Name: 1-[3-[4-(2-methylphenoxy)but-2-ynylsulfanyl]indol-1-yl]ethanone Traditional Name: 1-[3-[4-(2-methylphenoxy)but-2-ynylthio]indol-1-yl]ethanone Formula: C21H19NO2S MolecularWeight: 349.44606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC#CCSC2=CN(C3=CC=CC=C32)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1OCC#CCSC2=CN(C3=CC=CC=C32)C(=O)C

InChI

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