2-(2,6-dinitrophenyl)sulfanyl-N-methyl-ethanamine

Systemtic Name: 2-(2,6-dinitrophenyl)sulfanyl-N-methyl-ethanamine Openeye Name: 2-(2,6-dinitrophenyl)sulfanyl-N-methyl-ethanamine CAS Name: 2-[(2,6-dinitrophenyl)thio]-N-methylethanamine IUPAC Name: 2-(2,6-dinitrophenyl)sulfanyl-N-methylethanamine Traditional Name: 2-[(2,6-dinitrophenyl)thio]ethyl-methyl-amine Formula: C9H11N3O4S MolecularWeight: 257.26634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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