2-(5-ethyl-4-oxidanylidene-2-propan-2-ylsulfanyl-1H-pyrimidin-6-yl)-2-naphthalen-1-yl-ethanenitrile

Systemtic Name: 2-(5-ethyl-4-oxidanylidene-2-propan-2-ylsulfanyl-1H-pyrimidin-6-yl)-2-naphthalen-1-yl-ethanenitrile Openeye Name: 2-(5-ethyl-2-isopropylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-2-(1-naphthyl)acetonitrile CAS Name: 2-[5-ethyl-4-oxo-2-(propan-2-ylthio)-1H-pyrimidin-6-yl]-2-(1-naphthalenyl)acetonitrile IUPAC Name: 2-(5-ethyl-4-oxo-2-propan-2-ylsulfanyl-1H-pyrimidin-6-yl)-2-naphthalen-1-ylacetonitrile Traditional Name: 2-[5-ethyl-2-(isopropylthio)-4-keto-1H-pyrimidin-6-yl]-2-(1-naphthyl)acetonitrile Formula: C21H21N3OS MolecularWeight: 363.47594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC(C)C)C(C#N)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC(C)C)C(C#N)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H21N3OS/c1-4-15-19(23-21(24-20(15)25)26-13(2)3)18(12-22)17-11-7-9-14-8-5-6-10-16(14)17/h5-11,13,18H,4H2,1-3H3,(H,23,24,25)