N-(4-methylsulfanylphenyl)-3,5-dinitro-benzamide

Systemtic Name: N-(4-methylsulfanylphenyl)-3,5-dinitro-benzamide Openeye Name: N-(4-methylsulfanylphenyl)-3,5-dinitro-benzamide CAS Name: N-[4-(methylthio)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-(4-methylsulfanylphenyl)-3,5-dinitrobenzamide Traditional Name: N-[4-(methylthio)phenyl]-3,5-dinitro-benzamide Formula: C14H11N3O5S MolecularWeight: 333.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O5S/c1-23-13-4-2-10(3-5-13)15-14(18)9-6-11(16(19)20)8-12(7-9)17(21)22/h2-8H,1H3,(H,15,18)