2-methyl-N-(2-methylsulfanylphenyl)-3,5-dinitro-benzamide

Systemtic Name: 2-methyl-N-(2-methylsulfanylphenyl)-3,5-dinitro-benzamide Openeye Name: 2-methyl-N-(2-methylsulfanylphenyl)-3,5-dinitro-benzamide CAS Name: 2-methyl-N-[2-(methylthio)phenyl]-3,5-dinitrobenzamide IUPAC Name: 2-methyl-N-(2-methylsulfanylphenyl)-3,5-dinitrobenzamide Traditional Name: 2-methyl-N-[2-(methylthio)phenyl]-3,5-dinitro-benzamide Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC2=CC=CC=C2SC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC2=CC=CC=C2SC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5S/c1-9-11(7-10(17(20)21)8-13(9)18(22)23)15(19)16-12-5-3-4-6-14(12)24-2/h3-8H,1-2H3,(H,16,19)