S-[(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenyl-propyl] benzenecarbothioate

Systemtic Name: S-[(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenyl-propyl] benzenecarbothioate Openeye Name: S-[(3E)-3-[(2,4-dinitrophenyl)hydrazono]-2-phenyl-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylpropyl] ester IUPAC Name: S-[(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylpropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(3E)-3-[(2,4-dinitrophenyl)hydrazono]-2-phenyl-propyl] ester Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CSC(=O)C2=CC=CC=C2)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CSC(=O)C2=CC=CC=C2)/C=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c27-22(17-9-5-2-6-10-17)32-15-18(16-7-3-1-4-8-16)14-23-24-20-12-11-19(25(28)29)13-21(20)26(30)31/h1-14,18,24H,15H2/b23-14+