3-(2-methyl-6-propoxy-phenyl)-3-[4-(3-propoxyphenyl)sulfanylphenyl]-1-prop-2-ynyl-2H-pyridin-4-one

Systemtic Name: 3-(2-methyl-6-propoxy-phenyl)-3-[4-(3-propoxyphenyl)sulfanylphenyl]-1-prop-2-ynyl-2H-pyridin-4-one Openeye Name: 3-(2-methyl-6-propoxy-phenyl)-3-[4-(3-propoxyphenyl)sulfanylphenyl]-1-prop-2-ynyl-2H-pyridin-4-one CAS Name: 3-(2-methyl-6-propoxyphenyl)-3-[4-[(3-propoxyphenyl)thio]phenyl]-1-prop-2-ynyl-2H-pyridin-4-one IUPAC Name: 3-(2-methyl-6-propoxyphenyl)-3-[4-(3-propoxyphenyl)sulfanylphenyl]-1-prop-2-ynyl-2H-pyridin-4-one Traditional Name: 3-(2-methyl-6-propoxy-phenyl)-1-propargyl-3-[4-[(3-propoxyphenyl)thio]phenyl]-2H-pyridin-4-one Formula: C33H35NO3S MolecularWeight: 525.7009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC=C1)SC2=CC=C(C=C2)C3(CN(C=CC3=O)CC#C)C4=C(C=CC=C4OCCC)C

Isomeric SMILES

CCCOC1=CC(=CC=C1)SC2=CC=C(C=C2)C3(CN(C=CC3=O)CC#C)C4=C(C=CC=C4OCCC)C

InChI

InChI=1S/C33H35NO3S/c1-5-19-34-20-18-31(35)33(24-34,32-25(4)10-8-13-30(32)37-22-7-3)26-14-16-28(17-15-26)38-29-12-9-11-27(23-29)36-21-6-2/h1,8-18,20,23H,6-7,19,21-22,24H2,2-4H3