ethyl 2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethanoate Openeye Name: ethyl 2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(5-cyano-6-methyl-2-phenyl-4-pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)thio]acetic acid ethyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC(=C1C#N)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1C#N)C)C2=CC=CC=C2

InChI

InChI=1S/C16H15N3O2S/c1-3-21-14(20)10-22-16-13(9-17)11(2)18-15(19-16)12-7-5-4-6-8-12/h4-8H,3,10H2,1-2H3