2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C16H19N3O2S/c1-3-11-6-5-7-12(4-2)15(11)18-14(21)10-22-16-17-9-8-13(20)19-16/h5-9H,3-4,10H2,1-2H3,(H,18,21)(H,17,19,20)/p-1