N-[2,3-bis(chloranyl)phenyl]-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide

Systemtic Name: N-[2,3-bis(chloranyl)phenyl]-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide Openeye Name: 2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide CAS Name: 2-cyano-N-(2,3-dichlorophenyl)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propenamide IUPAC Name: 2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-enamide Traditional Name: 2-cyano-N-(2,3-dichlorophenyl)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]acrylamide Formula: C20H11Cl2N5O3S MolecularWeight: 472.30404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H11Cl2N5O3S/c21-14-3-1-4-15(18(14)22)26-19(28)13(11-23)9-12-5-6-17(16(10-12)27(29)30)31-20-24-7-2-8-25-20/h1-10H,(H,26,28)