3-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(2,6-dimethyl-4-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(2,6-dimethylpyrimidin-4-yl)thio]methyl]benzonitrile Formula: C14H13N3S MolecularWeight: 255.33812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H13N3S/c1-10-6-14(17-11(2)16-10)18-9-13-5-3-4-12(7-13)8-15/h3-7H,9H2,1-2H3