2-[(6-methylpyrimidin-4-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(6-methylpyrimidin-4-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(6-methylpyrimidin-4-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(6-methylpyrimidin-4-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(6-methylpyrimidin-4-yl)thio]methyl]benzonitrile Formula: C13H11N3S MolecularWeight: 241.31154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=CC(=NC=N1)SCC2=CC=CC=C2C#N

InChI

InChI=1S/C13H11N3S/c1-10-6-13(16-9-15-10)17-8-12-5-3-2-4-11(12)7-14/h2-6,9H,8H2,1H3