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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C27H20N4O2S MolecularWeight: 464.5383

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C(=CC3=CC=CC=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)/C(=C/C3=CC=CC=C3)/C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H20N4O2S/c1-34-27-30-24(20-11-6-3-7-12-20)17-25(31-27)29-22-13-8-14-23(16-22)33-26(32)21(18-28)15-19-9-4-2-5-10-19/h2-17H,1H3,(H,29,30,31)/b21-15+