2-[(5E)-5-(cyanomethylidene)-3,3,6,6-tetramethyl-2-pyrimidin-2-ylsulfanyl-1,4-dioxan-2-yl]ethanenitrile

Systemtic Name: 2-[(5E)-5-(cyanomethylidene)-3,3,6,6-tetramethyl-2-pyrimidin-2-ylsulfanyl-1,4-dioxan-2-yl]ethanenitrile Openeye Name: 2-[(5E)-5-(cyanomethylene)-3,3,6,6-tetramethyl-2-pyrimidin-2-ylsulfanyl-1,4-dioxan-2-yl]acetonitrile CAS Name: 2-[(5E)-5-(cyanomethylidene)-3,3,6,6-tetramethyl-2-(2-pyrimidinylthio)-1,4-dioxan-2-yl]acetonitrile IUPAC Name: 2-[(5E)-5-(cyanomethylidene)-3,3,6,6-tetramethyl-2-pyrimidin-2-ylsulfanyl-1,4-dioxan-2-yl]acetonitrile Traditional Name: 2-[(5E)-5-(cyanomethylene)-3,3,6,6-tetramethyl-2-(2-pyrimidylthio)-1,4-dioxan-2-yl]acetonitrile Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC#N)OC(C(O1)(CC#N)SC2=NC=CC=N2)(C)C)C

Isomeric SMILES

CC1(/C(=C\C#N)/OC(C(O1)(CC#N)SC2=NC=CC=N2)(C)C)C

InChI

InChI=1S/C16H18N4O2S/c1-14(2)12(6-8-17)21-15(3,4)16(22-14,7-9-18)23-13-19-10-5-11-20-13/h5-6,10-11H,7H2,1-4H3/b12-6+