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

Systemtic Name: N-(4-butoxyphenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(4-butoxyphenyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(4-butoxyphenyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(4-butoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(4-butoxyphenyl)-2-(2-pyrimidylthio)acetamide Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC=CC=N2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C16H19N3O2S/c1-2-3-11-21-14-7-5-13(6-8-14)19-15(20)12-22-16-17-9-4-10-18-16/h4-10H,2-3,11-12H2,1H3,(H,19,20)