3-acetamido-N-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzamide

Systemtic Name: 3-acetamido-N-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzamide Openeye Name: 3-acetamido-N-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]benzamide CAS Name: 3-acetamido-N-[[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]benzamide IUPAC Name: 3-acetamido-N-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzamide Traditional Name: 3-acetamido-N-[[3-nitro-4-(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=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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