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azanium (phenylmethyl)azanium dithiocyanate

azanium (phenylmethyl)azanium dithiocyanate

Systemtic Name:azanium (phenylmethyl)azanium dithiocyanate
Openeye Name:ammonium benzylammonium dithiocyanate
CAS Name:ammonium (phenylmethyl)ammonium dithiocyanate
IUPAC Name:azanium benzylazanium dithiocyanate
Traditional Name:ammonium benzylammonium dithiocyanate
Formula: C9H14N4S2
MolecularWeight: 242.36426
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH3+].C(#N)[S-].C(#N)[S-].[NH4+]


Isomeric SMILES

C1=CC=C(C=C1)C[NH3+].C(#N)[S-].C(#N)[S-].[NH4+]


InChI

InChI=1S/C7H9N.2CHNS.H3N/c8-6-7-4-2-1-3-5-7;2*2-1-3;/h1-5H,6,8H2;2*3H;1H3


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