N-(1-methylsulfanylpropyl)-2,4-dinitro-aniline

Systemtic Name: N-(1-methylsulfanylpropyl)-2,4-dinitro-aniline Openeye Name: N-(1-methylsulfanylpropyl)-2,4-dinitro-aniline CAS Name: N-[1-(methylthio)propyl]-2,4-dinitroaniline IUPAC Name: N-(1-methylsulfanylpropyl)-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[1-(methylthio)propyl]amine Formula: C10H13N3O4S MolecularWeight: 271.29292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])SC

Isomeric SMILES

CCC(NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])SC

InChI

InChI=1S/C10H13N3O4S/c1-3-10(18-2)11-8-5-4-7(12(14)15)6-9(8)13(16)17/h4-6,10-11H,3H2,1-2H3