(Z)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (Z)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-N-(phenylmethyl)prop-2-enamide Openeye Name: (Z)-N-benzyl-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide CAS Name: (Z)-2-cyano-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (Z)-N-benzyl-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-enamide Traditional Name: (Z)-N-benzyl-2-cyano-3-[3-nitro-4-(2-pyrimidylthio)phenyl]acrylamide Formula: C21H15N5O3S MolecularWeight: 417.4405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N5O3S/c22-13-17(20(27)25-14-15-5-2-1-3-6-15)11-16-7-8-19(18(12-16)26(28)29)30-21-23-9-4-10-24-21/h1-12H,14H2,(H,25,27)/b17-11-