5-[(1E)-buta-1,3-dienyl]-2-methylsulfanyl-3,6-diphenyl-pyrimidin-4-one

Systemtic Name: 5-[(1E)-buta-1,3-dienyl]-2-methylsulfanyl-3,6-diphenyl-pyrimidin-4-one Openeye Name: 5-[(1E)-buta-1,3-dienyl]-2-methylsulfanyl-3,6-diphenyl-pyrimidin-4-one CAS Name: 5-[(1E)-buta-1,3-dienyl]-2-(methylthio)-3,6-diphenyl-4-pyrimidinone IUPAC Name: 5-[(1E)-buta-1,3-dienyl]-2-methylsulfanyl-3,6-diphenylpyrimidin-4-one Traditional Name: 5-[(1E)-buta-1,3-dienyl]-2-(methylthio)-3,6-diphenyl-pyrimidin-4-one Formula: C21H18N2OS MolecularWeight: 346.44542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=O)N1C2=CC=CC=C2)C=CC=C)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=O)N1C2=CC=CC=C2)/C=C/C=C)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2OS/c1-3-4-15-18-19(16-11-7-5-8-12-16)22-21(25-2)23(20(18)24)17-13-9-6-10-14-17/h3-15H,1H2,2H3/b15-4+