2-[(4,6-diphenylpyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(4,6-diphenylpyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4,6-diphenylpyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4,6-diphenyl-2-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(4,6-diphenylpyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4,6-diphenylpyrimidin-2-yl)thio]methyl]benzonitrile Formula: C24H17N3S MolecularWeight: 379.47688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=CC=C3C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=CC=C3C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H17N3S/c25-16-20-13-7-8-14-21(20)17-28-24-26-22(18-9-3-1-4-10-18)15-23(27-24)19-11-5-2-6-12-19/h1-15H,17H2