[4-[1-acetamido-2,2,2-tris(chloranyl)ethyl]sulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium

Systemtic Name: [4-[1-acetamido-2,2,2-tris(chloranyl)ethyl]sulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium Openeye Name: [4-(1-acetamido-2,2,2-trichloro-ethyl)sulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium CAS Name: [4-[(1-acetamido-2,2,2-trichloroethyl)thio]-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: [4-(1-acetamido-2,2,2-trichloroethyl)sulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphanium Traditional Name: [4-[(1-acetamido-2,2,2-trichloro-ethyl)thio]-6-keto-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C32H26Cl3N3O2PS+ MolecularWeight: 653.965501

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(Cl)(Cl)Cl)SC1=C(C(=O)NC(=N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC(C(Cl)(Cl)Cl)SC1=C(C(=O)NC(=N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H25Cl3N3O2PS/c1-22(39)36-31(32(33,34)35)42-30-27(29(40)37-28(38-30)23-14-6-2-7-15-23)41(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,31H,1H3,(H-,36,37,38,39,40)/p+1