3-[(E)-5-(2-methylphenoxy)-2-[(2-methylphenoxy)methyl]pent-1-en-3-ynyl]-2-phenyl-thiochromen-4-one

Systemtic Name: 3-[(E)-5-(2-methylphenoxy)-2-[(2-methylphenoxy)methyl]pent-1-en-3-ynyl]-2-phenyl-thiochromen-4-one Openeye Name: 3-[(E)-5-(2-methylphenoxy)-2-[(2-methylphenoxy)methyl]pent-1-en-3-ynyl]-2-phenyl-thiochromen-4-one CAS Name: 3-[(E)-5-(2-methylphenoxy)-2-[(2-methylphenoxy)methyl]pent-1-en-3-ynyl]-2-phenyl-1-benzothiopyran-4-one IUPAC Name: 3-[(E)-5-(2-methylphenoxy)-2-[(2-methylphenoxy)methyl]pent-1-en-3-ynyl]-2-phenylthiochromen-4-one Traditional Name: 3-[(E)-5-(2-methylphenoxy)-2-[(2-methylphenoxy)methyl]pent-1-en-3-ynyl]-2-phenyl-thiochromen-4-one Formula: C35H28O3S MolecularWeight: 528.66002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC#CC(=CC2=C(SC3=CC=CC=C3C2=O)C4=CC=CC=C4)COC5=CC=CC=C5C

Isomeric SMILES

CC1=CC=CC=C1OCC#C/C(=C\C2=C(SC3=CC=CC=C3C2=O)C4=CC=CC=C4)/COC5=CC=CC=C5C

InChI

InChI=1S/C35H28O3S/c1-25-13-6-9-19-31(25)37-22-12-15-27(24-38-32-20-10-7-14-26(32)2)23-30-34(36)29-18-8-11-21-33(29)39-35(30)28-16-4-3-5-17-28/h3-11,13-14,16-21,23H,22,24H2,1-2H3/b27-23+