N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-p-phenetyl-2-(2-pyrimidylthio)acetamide Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC=CC=N2

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C17H18N4O2S/c1-2-23-15-7-5-14(6-8-15)21(12-3-9-18)16(22)13-24-17-19-10-4-11-20-17/h4-8,10-11H,2-3,12-13H2,1H3