2-[(4,6-dimethylpyrimidin-2-yl)-sulfanyl-methyl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C2=CC=CC=C2C#N)S)C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C2=CC=CC=C2C#N)S)C

InChI

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