4-[(4,5-diphenylpyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(4,5-diphenylpyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4,5-diphenylpyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4,5-diphenyl-2-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(4,5-diphenylpyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4,5-diphenylpyrimidin-2-yl)thio]methyl]benzonitrile Formula: C24H17N3S MolecularWeight: 379.47688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCC4=CC=C(C=C4)C#N

InChI

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