5-cyano-6-[4-[2-(diethylamino)-2-oxidanylidene-ethoxy]phenyl]-2-sulfanylidene-1H-pyrimidin-4-olate

Systemtic Name: 5-cyano-6-[4-[2-(diethylamino)-2-oxidanylidene-ethoxy]phenyl]-2-sulfanylidene-1H-pyrimidin-4-olate Openeye Name: 5-cyano-6-[4-[2-(diethylamino)-2-oxo-ethoxy]phenyl]-2-thioxo-1H-pyrimidin-4-olate CAS Name: 5-cyano-6-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-sulfanylidene-1H-pyrimidin-4-olate IUPAC Name: 5-cyano-6-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-sulfanylidene-1H-pyrimidin-4-olate Traditional Name: 5-cyano-6-[4-[2-(diethylamino)-2-keto-ethoxy]phenyl]-2-thioxo-1H-pyrimidin-4-olate Formula: C17H17N4O3S- MolecularWeight: 357.40688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1=CC=C(C=C1)C2=C(C(=NC(=S)N2)[O-])C#N

Isomeric SMILES

CCN(CC)C(=O)COC1=CC=C(C=C1)C2=C(C(=NC(=S)N2)[O-])C#N

InChI

InChI=1S/C17H18N4O3S/c1-3-21(4-2)14(22)10-24-12-7-5-11(6-8-12)15-13(9-18)16(23)20-17(25)19-15/h5-8H,3-4,10H2,1-2H3,(H2,19,20,23,25)/p-1