1,3-diethyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate; (2-nitrophenyl)iodanium

Systemtic Name: 1,3-diethyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate; (2-nitrophenyl)iodanium Openeye Name: 1,3-diethyl-6-oxo-2-thioxo-pyrimidin-4-olate; (2-nitrophenyl)iodonium CAS Name: 1,3-diethyl-6-oxo-2-sulfanylidene-4-pyrimidinolate; (2-nitrophenyl)iodonium IUPAC Name: 1,3-diethyl-6-oxo-2-sulfanylidenepyrimidin-4-olate; (2-nitrophenyl)iodanium Traditional Name: 1,3-diethyl-6-keto-2-thioxo-pyrimidin-4-olate; (2-nitrophenyl)iodonium Formula: C14H16IN3O4S MolecularWeight: 449.26401

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=O)N(C1=S)CC)[O-].C1=CC=C(C(=C1)[N+](=O)[O-])[IH+]

Isomeric SMILES

CCN1C(=CC(=O)N(C1=S)CC)[O-].C1=CC=C(C(=C1)[N+](=O)[O-])[IH+]

InChI

InChI=1S/C8H12N2O2S.C6H5INO2/c1-3-9-6(11)5-7(12)10(4-2)8(9)13;7-5-3-1-2-4-6(5)8(9)10/h5,11H,3-4H2,1-2H3;1-4,7H/q;+1/p-1