N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[5-[4-(methylthio)phenyl]-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[5-[4-(methylthio)phenyl]-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide Formula: C16H11N5O6S MolecularWeight: 401.35344

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O6S/c1-28-13-4-2-9(3-5-13)15-18-19-16(27-15)17-14(22)10-6-11(20(23)24)8-12(7-10)21(25)26/h2-8H,1H3,(H,17,19,22)