2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-6-phenyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[2-(4-tert-butylphenoxy)ethylthio]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[2-(4-tert-butylphenoxy)ethylthio]-6-phenyl-1H-pyrimidin-4-one Formula: C22H24N2O2S MolecularWeight: 380.50316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NC(=O)C=C(N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NC(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O2S/c1-22(2,3)17-9-11-18(12-10-17)26-13-14-27-21-23-19(15-20(25)24-21)16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H,23,24,25)