3-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanenitrile

Systemtic Name: 3-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanenitrile Openeye Name: 3-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanenitrile CAS Name: 3-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanenitrile IUPAC Name: 3-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanenitrile Traditional Name: 3-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]propionitrile Formula: C14H13N3S MolecularWeight: 255.33812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3S/c1-11-10-13(12-6-3-2-4-7-12)17-14(16-11)18-9-5-8-15/h2-4,6-7,10H,5,9H2,1H3