[3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)/C(=C/C3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H18N4O2S/c1-15-11-20(26-22(24-15)29-2)25-18-9-6-10-19(13-18)28-21(27)17(14-23)12-16-7-4-3-5-8-16/h3-13H,1-2H3,(H,24,25,26)/b17-12+