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

Systemtic Name: 1-[3-[4-(4-methoxyphenoxy)but-2-ynylsulfanyl]indol-1-yl]ethanone Openeye Name: 1-[3-[4-(4-methoxyphenoxy)but-2-ynylsulfanyl]indol-1-yl]ethanone CAS Name: 1-[3-[4-(4-methoxyphenoxy)but-2-ynylthio]-1-indolyl]ethanone IUPAC Name: 1-[3-[4-(4-methoxyphenoxy)but-2-ynylsulfanyl]indol-1-yl]ethanone Traditional Name: 1-[3-[4-(4-methoxyphenoxy)but-2-ynylthio]indol-1-yl]ethanone Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)SCC#CCOC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)SCC#CCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H19NO3S/c1-16(23)22-15-21(19-7-3-4-8-20(19)22)26-14-6-5-13-25-18-11-9-17(24-2)10-12-18/h3-4,7-12,15H,13-14H2,1-2H3