2-[5-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-2-naphthalen-1-yl-ethanenitrile

Systemtic Name: 2-[5-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-2-naphthalen-1-yl-ethanenitrile Openeye Name: 2-[5-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-2-(1-naphthyl)acetonitrile CAS Name: 2-[5-ethyl-2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-2-(1-naphthalenyl)acetonitrile IUPAC Name: 2-[5-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-2-naphthalen-1-ylacetonitrile Traditional Name: 2-[5-ethyl-4-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-6-yl]-2-(1-naphthyl)acetonitrile Formula: C25H20N4O3S MolecularWeight: 456.5163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)[N+](=O)[O-])C(C#N)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)[N+](=O)[O-])C(C#N)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H20N4O3S/c1-2-19-23(22(14-26)21-9-5-7-17-6-3-4-8-20(17)21)27-25(28-24(19)30)33-15-16-10-12-18(13-11-16)29(31)32/h3-13,22H,2,15H2,1H3,(H,27,28,30)