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sodium (phenylmethyl)azanium dithiocyanate

sodium (phenylmethyl)azanium dithiocyanate

Systemtic Name:sodium (phenylmethyl)azanium dithiocyanate
Openeye Name:sodium benzylammonium dithiocyanate
CAS Name:sodium (phenylmethyl)ammonium dithiocyanate
IUPAC Name:sodium benzylazanium dithiocyanate
Traditional Name:sodium benzylammonium dithiocyanate
Formula: C9H10N3NaS2
MolecularWeight: 247.31557
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C7H9N.2CHNS.Na/c8-6-7-4-2-1-3-5-7;2*2-1-3;/h1-5H,6,8H2;2*3H;/q;;;+1/p-1


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