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

Systemtic Name: 3,5-dimethoxy-N-[(5-nitro-2-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzamide Openeye Name: 3,5-dimethoxy-N-[(5-nitro-2-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]benzamide CAS Name: 3,5-dimethoxy-N-[[5-nitro-2-(2-pyrimidinylthio)phenyl]methylideneamino]benzamide IUPAC Name: 3,5-dimethoxy-N-[(5-nitro-2-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzamide Traditional Name: 3,5-dimethoxy-N-[[5-nitro-2-(2-pyrimidylthio)benzylidene]amino]benzamide Formula: C20H17N5O5S MolecularWeight: 439.44448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=CC=N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=CC=N3)OC

InChI

InChI=1S/C20H17N5O5S/c1-29-16-9-13(10-17(11-16)30-2)19(26)24-23-12-14-8-15(25(27)28)4-5-18(14)31-20-21-6-3-7-22-20/h3-12H,1-2H3,(H,24,26)