2-(2-ethylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)-2-phenyl-ethanenitrile

Systemtic Name: 2-(2-ethylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)-2-phenyl-ethanenitrile Openeye Name: 2-(2-ethylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-2-phenyl-acetonitrile CAS Name: 2-[2-(ethylthio)-4-oxo-1H-pyrimidin-6-yl]-2-phenylacetonitrile IUPAC Name: 2-(2-ethylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-2-phenylacetonitrile Traditional Name: 2-[2-(ethylthio)-4-keto-1H-pyrimidin-6-yl]-2-phenyl-acetonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C=C(N1)C(C#N)C2=CC=CC=C2

Isomeric SMILES

CCSC1=NC(=O)C=C(N1)C(C#N)C2=CC=CC=C2

InChI

InChI=1S/C14H13N3OS/c1-2-19-14-16-12(8-13(18)17-14)11(9-15)10-6-4-3-5-7-10/h3-8,11H,2H2,1H3,(H,16,17,18)