2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide

Systemtic Name: 2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide Openeye Name: 2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide CAS Name: 2-cyano-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-N-(2,4,6-trimethylphenyl)-2-propenamide IUPAC Name: 2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide Traditional Name: 2-cyano-N-mesityl-3-[3-nitro-4-(2-pyrimidylthio)phenyl]acrylamide Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C23H19N5O3S/c1-14-9-15(2)21(16(3)10-14)27-22(29)18(13-24)11-17-5-6-20(19(12-17)28(30)31)32-23-25-7-4-8-26-23/h4-12H,1-3H3,(H,27,29)