2-(2,4-dinitrophenyl)sulfanyl-N-methyl-ethanamine

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-N-methyl-ethanamine Openeye Name: 2-(2,4-dinitrophenyl)sulfanyl-N-methyl-ethanamine CAS Name: 2-[(2,4-dinitrophenyl)thio]-N-methylethanamine IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-N-methylethanamine Traditional Name: 2-[(2,4-dinitrophenyl)thio]ethyl-methyl-amine Formula: C9H11N3O4S MolecularWeight: 257.26634

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Descriptors Computed from Structure

Canonical SMILES:

CNCCSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNCCSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H11N3O4S/c1-10-4-5-17-9-3-2-7(11(13)14)6-8(9)12(15)16/h2-3,6,10H,4-5H2,1H3