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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC#CCSC2=CC3=CC=CC=C3N2C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC#CCSC2=CC3=CC=CC=C3N2C(=O)C

InChI

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