2-[4-(4-methylphenoxy)but-2-ynylsulfanyl]thiochromen-4-one

Systemtic Name: 2-[4-(4-methylphenoxy)but-2-ynylsulfanyl]thiochromen-4-one Openeye Name: 2-[4-(4-methylphenoxy)but-2-ynylsulfanyl]thiochromen-4-one CAS Name: 2-[4-(4-methylphenoxy)but-2-ynylthio]-1-benzothiopyran-4-one IUPAC Name: 2-[4-(4-methylphenoxy)but-2-ynylsulfanyl]thiochromen-4-one Traditional Name: 2-[4-(4-methylphenoxy)but-2-ynylthio]thiochromen-4-one Formula: C20H16O2S2 MolecularWeight: 352.46984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC#CCSC2=CC(=O)C3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)OCC#CCSC2=CC(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C20H16O2S2/c1-15-8-10-16(11-9-15)22-12-4-5-13-23-20-14-18(21)17-6-2-3-7-19(17)24-20/h2-3,6-11,14H,12-13H2,1H3