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

Systemtic Name: 4-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzoate IUPAC Name: 4-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]methyl]benzoate Formula: C15H12N3O3S- MolecularWeight: 314.33908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)[O-])C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)[O-])C#N

InChI

InChI=1S/C15H13N3O3S/c1-2-12-11(7-16)13(19)18-15(17-12)22-8-9-3-5-10(6-4-9)14(20)21/h3-6H,2,8H2,1H3,(H,20,21)(H,17,18,19)/p-1