2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C13H9N4O2S- MolecularWeight: 285.30116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O2S/c14-7-9-2-1-3-10(6-9)16-12(19)8-20-13-15-5-4-11(18)17-13/h1-6H,8H2,(H,16,19)(H,15,17,18)/p-1