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

Systemtic Name: N,2-dimethyl-N-(2-methylsulfanylphenyl)-3,5-dinitro-benzamide Openeye Name: N,2-dimethyl-N-(2-methylsulfanylphenyl)-3,5-dinitro-benzamide CAS Name: N,2-dimethyl-N-[2-(methylthio)phenyl]-3,5-dinitrobenzamide IUPAC Name: N,2-dimethyl-N-(2-methylsulfanylphenyl)-3,5-dinitrobenzamide Traditional Name: N,2-dimethyl-N-[2-(methylthio)phenyl]-3,5-dinitro-benzamide Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)N(C)C2=CC=CC=C2SC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)N(C)C2=CC=CC=C2SC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S/c1-10-12(8-11(18(21)22)9-14(10)19(23)24)16(20)17(2)13-6-4-5-7-15(13)25-3/h4-9H,1-3H3