4-methylsulfanyl-3,5-dinitro-aniline

Systemtic Name: 4-methylsulfanyl-3,5-dinitro-aniline Openeye Name: 4-methylsulfanyl-3,5-dinitro-aniline CAS Name: 4-(methylthio)-3,5-dinitroaniline IUPAC Name: 4-methylsulfanyl-3,5-dinitroaniline Traditional Name: [4-(methylthio)-3,5-dinitro-phenyl]amine Formula: C7H7N3O4S MolecularWeight: 229.21318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7N3O4S/c1-15-7-5(9(11)12)2-4(8)3-6(7)10(13)14/h2-3H,8H2,1H3