N-[2,2,2-tris(chloranyl)-1-pyrimidin-4-ylsulfanyl-ethyl]benzamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-pyrimidin-4-ylsulfanyl-ethyl]benzamide Openeye Name: N-(2,2,2-trichloro-1-pyrimidin-4-ylsulfanyl-ethyl)benzamide CAS Name: N-[2,2,2-trichloro-1-(4-pyrimidinylthio)ethyl]benzamide IUPAC Name: N-(2,2,2-trichloro-1-pyrimidin-4-ylsulfanylethyl)benzamide Traditional Name: N-[2,2,2-trichloro-1-(4-pyrimidylthio)ethyl]benzamide Formula: C13H10Cl3N3OS MolecularWeight: 362.662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)SC2=NC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)SC2=NC=NC=C2

InChI

InChI=1S/C13H10Cl3N3OS/c14-13(15,16)12(21-10-6-7-17-8-18-10)19-11(20)9-4-2-1-3-5-9/h1-8,12H,(H,19,20)