N-(2-methylsulfanylphenyl)-2,4-dinitro-aniline

Systemtic Name: N-(2-methylsulfanylphenyl)-2,4-dinitro-aniline Openeye Name: N-(2-methylsulfanylphenyl)-2,4-dinitro-aniline CAS Name: N-[2-(methylthio)phenyl]-2,4-dinitroaniline IUPAC Name: N-(2-methylsulfanylphenyl)-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[2-(methylthio)phenyl]amine Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4S/c1-21-13-5-3-2-4-11(13)14-10-7-6-9(15(17)18)8-12(10)16(19)20/h2-8,14H,1H3