2-(4-chloranylphenoxy)-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(4-chloranylphenoxy)-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(4-chlorophenoxy)-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]acetamide CAS Name: 2-(4-chlorophenoxy)-N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]acetamide IUPAC Name: 2-(4-chlorophenoxy)-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]acetamide Traditional Name: 2-(4-chlorophenoxy)-N-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]acetamide Formula: C19H14ClN5O4S MolecularWeight: 443.86356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=C(C=C(C=C2)C=NNC(=O)COC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)SC2=C(C=C(C=C2)/C=N/NC(=O)COC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H14ClN5O4S/c20-14-3-5-15(6-4-14)29-12-18(26)24-23-11-13-2-7-17(16(10-13)25(27)28)30-19-21-8-1-9-22-19/h1-11H,12H2,(H,24,26)/b23-11+