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

Systemtic Name: (Z)-2-(4-methylphenyl)sulfonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile Openeye Name: (Z)-2-(p-tolylsulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile CAS Name: (Z)-2-(4-methylphenyl)sulfonyl-3-(2-pyrimidinylamino)-2-propenenitrile IUPAC Name: (Z)-2-(4-methylphenyl)sulfonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile Traditional Name: (Z)-3-(2-pyrimidylamino)-2-tosyl-acrylonitrile Formula: C14H12N4O2S MolecularWeight: 300.33568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=NC=CC=N2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C\NC2=NC=CC=N2)/C#N

InChI

InChI=1S/C14H12N4O2S/c1-11-3-5-12(6-4-11)21(19,20)13(9-15)10-18-14-16-7-2-8-17-14/h2-8,10H,1H3,(H,16,17,18)/b13-10-