(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-ethanenitrile

Systemtic Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-ethanenitrile Openeye Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-acetonitrile CAS Name: (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]-2-phenylacetonitrile IUPAC Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetonitrile Traditional Name: (2S)-2-[(4,6-dimethylpyrimidin-2-yl)thio]-2-phenyl-acetonitrile Formula: C14H13N3S MolecularWeight: 255.33812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C#N)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)S[C@H](C#N)C2=CC=CC=C2)C

InChI

InChI=1S/C14H13N3S/c1-10-8-11(2)17-14(16-10)18-13(9-15)12-6-4-3-5-7-12/h3-8,13H,1-2H3/t13-/m1/s1