3,5-dimethoxy-N-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzamide

Systemtic Name: 3,5-dimethoxy-N-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzamide Openeye Name: 3,5-dimethoxy-N-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]benzamide CAS Name: 3,5-dimethoxy-N-[[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]benzamide IUPAC Name: 3,5-dimethoxy-N-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzamide Traditional Name: 3,5-dimethoxy-N-[[3-nitro-4-(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=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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