4-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]benzenecarbonitrile Openeye Name: 4-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]benzonitrile CAS Name: 4-[2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]benzonitrile Traditional Name: 4-[2-[(4,5,6-trimethylpyrimidin-2-yl)thio]ethoxy]benzonitrile Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCCOC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCCOC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C16H17N3OS/c1-11-12(2)18-16(19-13(11)3)21-9-8-20-15-6-4-14(10-17)5-7-15/h4-7H,8-9H2,1-3H3