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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(2-chlorophenyl)-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)-3-(2-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(2-chlorophenyl)acrylic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C26H20ClN3O2S MolecularWeight: 473.9739

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C=CC3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)/C=C/C3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H20ClN3O2S/c1-33-26-29-23(19-9-3-2-4-10-19)17-24(30-26)28-20-11-7-12-21(16-20)32-25(31)15-14-18-8-5-6-13-22(18)27/h2-17H,1H3,(H,28,29,30)/b15-14+