(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide

Systemtic Name: (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide Openeye Name: (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide CAS Name: (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propenamide IUPAC Name: (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-enamide Traditional Name: (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]acrylamide Formula: C22H17N5O3S MolecularWeight: 431.46708

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O3S/c1-14-4-5-15(2)18(10-14)26-21(28)17(13-23)11-16-6-7-20(19(12-16)27(29)30)31-22-24-8-3-9-25-22/h3-12H,1-2H3,(H,26,28)/b17-11-