N-(3-methylsulfanylphenyl)-2,4-dinitro-aniline

Systemtic Name: N-(3-methylsulfanylphenyl)-2,4-dinitro-aniline Openeye Name: N-(3-methylsulfanylphenyl)-2,4-dinitro-aniline CAS Name: N-[3-(methylthio)phenyl]-2,4-dinitroaniline IUPAC Name: N-(3-methylsulfanylphenyl)-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[3-(methylthio)phenyl]amine Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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