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

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(2-oxidanylidene-4-sulfanylidene-pyrimidin-1-yl)ethyl]benzenecarbothioamide Openeye Name: N-[2,2,2-trichloro-1-(2-oxo-4-thioxo-pyrimidin-1-yl)ethyl]benzenecarbothioamide CAS Name: N-[2,2,2-trichloro-1-(2-oxo-4-sulfanylidene-1-pyrimidinyl)ethyl]benzenecarbothioamide IUPAC Name: N-[2,2,2-trichloro-1-(2-oxo-4-sulfanylidenepyrimidin-1-yl)ethyl]benzenecarbothioamide Traditional Name: N-[2,2,2-trichloro-1-(2-keto-4-thioxo-pyrimidin-1-yl)ethyl]thiobenzamide Formula: C13H10Cl3N3OS2 MolecularWeight: 394.727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=S)NC(C(Cl)(Cl)Cl)N2C=CC(=S)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)C(=S)NC(C(Cl)(Cl)Cl)N2C=CC(=S)NC2=O

InChI

InChI=1S/C13H10Cl3N3OS2/c14-13(15,16)11(19-7-6-9(21)17-12(19)20)18-10(22)8-4-2-1-3-5-8/h1-7,11H,(H,18,22)(H,17,20,21)