N-[2,2,2-tris(chloranyl)-1-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-3-yl)ethyl]benzamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-3-yl)ethyl]benzamide Openeye Name: N-[2,2,2-trichloro-1-(4-oxo-2-thioxo-1H-pyrimidin-3-yl)ethyl]benzamide CAS Name: N-[2,2,2-trichloro-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)ethyl]benzamide IUPAC Name: N-[2,2,2-trichloro-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)ethyl]benzamide Traditional Name: N-[2,2,2-trichloro-1-(4-keto-2-thioxo-1H-pyrimidin-3-yl)ethyl]benzamide Formula: C13H10Cl3N3O2S MolecularWeight: 378.6614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)N2C(=O)C=CNC2=S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)N2C(=O)C=CNC2=S

InChI

InChI=1S/C13H10Cl3N3O2S/c14-13(15,16)11(19-9(20)6-7-17-12(19)22)18-10(21)8-4-2-1-3-5-8/h1-7,11H,(H,17,22)(H,18,21)