N-(4-butylphenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(4-butylphenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-(2-pyrimidylthio)acetamide Formula: C16H19N3OS MolecularWeight: 301.40656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=CC=N2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C16H19N3OS/c1-2-3-5-13-6-8-14(9-7-13)19-15(20)12-21-16-17-10-4-11-18-16/h4,6-11H,2-3,5,12H2,1H3,(H,19,20)