2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanenitrile Openeye Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetonitrile Formula: C13H11N3S MolecularWeight: 241.31154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC#N

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC#N

InChI

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