4-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]benzoate IUPAC Name: 4-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]benzoate Formula: C19H12N3O3S- MolecularWeight: 362.38188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)C(=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)C(=O)[O-])C#N

InChI

InChI=1S/C19H13N3O3S/c20-10-15-16(13-4-2-1-3-5-13)21-19(22-17(15)23)26-11-12-6-8-14(9-7-12)18(24)25/h1-9H,11H2,(H,24,25)(H,21,22,23)/p-1