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

Systemtic Name: 2-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(6-phenyl-4-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(6-phenylpyrimidin-4-yl)thio]methyl]benzonitrile Formula: C18H13N3S MolecularWeight: 303.38092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)SCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H13N3S/c19-11-15-8-4-5-9-16(15)12-22-18-10-17(20-13-21-18)14-6-2-1-3-7-14/h1-10,13H,12H2