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

Systemtic Name: 2-[4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(2,6-dimethyl-4-pyrimidinyl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(2,6-dimethylpyrimidin-4-yl)thio]methyl]phenyl]benzonitrile Formula: C20H17N3S MolecularWeight: 331.43408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H17N3S/c1-14-11-20(23-15(2)22-14)24-13-16-7-9-17(10-8-16)19-6-4-3-5-18(19)12-21/h3-11H,13H2,1-2H3