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

Systemtic Name: 3-chloranyl-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-chloro-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-chloro-4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-chloro-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-chloro-4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzonitrile Formula: C14H12ClN3S MolecularWeight: 289.78318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN3S/c1-9-5-10(2)18-14(17-9)19-8-12-4-3-11(7-16)6-13(12)15/h3-6H,8H2,1-2H3