N-methyl-2-(2,4,6-trinitrophenyl)sulfanyl-ethanamine

Systemtic Name: N-methyl-2-(2,4,6-trinitrophenyl)sulfanyl-ethanamine Openeye Name: N-methyl-2-(2,4,6-trinitrophenyl)sulfanyl-ethanamine CAS Name: N-methyl-2-[(2,4,6-trinitrophenyl)thio]ethanamine IUPAC Name: N-methyl-2-(2,4,6-trinitrophenyl)sulfanylethanamine Traditional Name: methyl-[2-(picrylthio)ethyl]amine Formula: C9H10N4O6S MolecularWeight: 302.2639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O6S/c1-10-2-3-20-9-7(12(16)17)4-6(11(14)15)5-8(9)13(18)19/h4-5,10H,2-3H2,1H3