2-[[(Z)-3-(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)prop-2-enoyl]amino]benzamide

Systemtic Name: 2-[[(Z)-3-(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)prop-2-enoyl]amino]benzamide Openeye Name: 2-[[(Z)-3-[5-nitro-2-(2-pyridylsulfanyl)phenyl]prop-2-enoyl]amino]benzamide CAS Name: 2-[[(Z)-3-[5-nitro-2-(2-pyridinylthio)phenyl]-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 2-[[(Z)-3-(5-nitro-2-pyridin-2-ylsulfanylphenyl)prop-2-enoyl]amino]benzamide Traditional Name: 2-[[(Z)-3-[5-nitro-2-(2-pyridylthio)phenyl]acryloyl]amino]benzamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O4S/c22-21(27)16-5-1-2-6-17(16)24-19(26)11-8-14-13-15(25(28)29)9-10-18(14)30-20-7-3-4-12-23-20/h1-13H,(H2,22,27)(H,24,26)/b11-8-