(Z)-2-(4-propan-2-ylphenyl)sulfonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile

Systemtic Name: (Z)-2-(4-propan-2-ylphenyl)sulfonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile Openeye Name: (Z)-2-(4-isopropylphenyl)sulfonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile CAS Name: (Z)-2-(4-propan-2-ylphenyl)sulfonyl-3-(2-pyrimidinylamino)-2-propenenitrile IUPAC Name: (Z)-2-(4-propan-2-ylphenyl)sulfonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile Traditional Name: (Z)-2-p-cumenylsulfonyl-3-(2-pyrimidylamino)acrylonitrile Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=NC=CC=N2)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)/C(=C\NC2=NC=CC=N2)/C#N

InChI

InChI=1S/C16H16N4O2S/c1-12(2)13-4-6-14(7-5-13)23(21,22)15(10-17)11-20-16-18-8-3-9-19-16/h3-9,11-12H,1-2H3,(H,18,19,20)/b15-11-