3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C19H15N3S MolecularWeight: 317.4075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H15N3S/c1-14-10-18(17-8-3-2-4-9-17)22-19(21-14)23-13-16-7-5-6-15(11-16)12-20/h2-11H,13H2,1H3