3-acetamido-N-[(5-nitro-2-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzamide

Systemtic Name: 3-acetamido-N-[(5-nitro-2-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzamide Openeye Name: 3-acetamido-N-[(5-nitro-2-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]benzamide CAS Name: 3-acetamido-N-[[5-nitro-2-(2-pyrimidinylthio)phenyl]methylideneamino]benzamide IUPAC Name: 3-acetamido-N-[(5-nitro-2-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzamide Traditional Name: 3-acetamido-N-[[5-nitro-2-(2-pyrimidylthio)benzylidene]amino]benzamide Formula: C20H16N6O4S MolecularWeight: 436.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=CC=N3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=CC=N3

InChI

InChI=1S/C20H16N6O4S/c1-13(27)24-16-5-2-4-14(10-16)19(28)25-23-12-15-11-17(26(29)30)6-7-18(15)31-20-21-8-3-9-22-20/h2-12H,1H3,(H,24,27)(H,25,28)