2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-cyano-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5-cyano-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-cyano-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-5-cyano-6-phenyl-pyrimidin-4-olate Formula: C19H11ClN3O2S- MolecularWeight: 380.82754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)C3=CC=C(C=C3)Cl)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)C3=CC=C(C=C3)Cl)[O-])C#N

InChI

InChI=1S/C19H12ClN3O2S/c20-14-8-6-12(7-9-14)16(24)11-26-19-22-17(13-4-2-1-3-5-13)15(10-21)18(25)23-19/h1-9H,11H2,(H,22,23,25)/p-1