3-methyl-N-(2-methylsulfanylphenyl)-2,6-dinitro-benzamide

Systemtic Name: 3-methyl-N-(2-methylsulfanylphenyl)-2,6-dinitro-benzamide Openeye Name: 3-methyl-N-(2-methylsulfanylphenyl)-2,6-dinitro-benzamide CAS Name: 3-methyl-N-[2-(methylthio)phenyl]-2,6-dinitrobenzamide IUPAC Name: 3-methyl-N-(2-methylsulfanylphenyl)-2,6-dinitrobenzamide Traditional Name: 3-methyl-N-[2-(methylthio)phenyl]-2,6-dinitro-benzamide Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2SC)[N+](=O)[O-]

InChI

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