2-[(5-ethanoyl-2,6-dimethyl-pyrimidin-4-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(5-ethanoyl-2,6-dimethyl-pyrimidin-4-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(5-acetyl-2,6-dimethyl-pyrimidin-4-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(5-acetyl-2,6-dimethyl-4-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(5-acetyl-2,6-dimethyl-pyrimidin-4-yl)thio]methyl]benzonitrile Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CC=CC=C2C#N)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CC=CC=C2C#N)C(=O)C

InChI

InChI=1S/C16H15N3OS/c1-10-15(11(2)20)16(19-12(3)18-10)21-9-14-7-5-4-6-13(14)8-17/h4-7H,9H2,1-3H3