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

Systemtic Name: 2-(4-tert-butylphenoxy)-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]acetamide Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O4S/c1-23(2,3)17-6-8-18(9-7-17)32-15-21(29)27-26-14-16-5-10-20(19(13-16)28(30)31)33-22-24-11-4-12-25-22/h4-14H,15H2,1-3H3,(H,27,29)/b26-14+