1,3-diethyl-N-phenyl-imidazol-1-ium-2-carboximidothioate

Systemtic Name: 1,3-diethyl-N-phenyl-imidazol-1-ium-2-carboximidothioate Openeye Name: 1,3-diethyl-N-phenyl-imidazol-1-ium-2-carboximidothioate CAS Name: 1,3-diethyl-N-phenyl-2-imidazol-1-iumcarboximidothioate IUPAC Name: 1,3-diethyl-N-phenylimidazol-1-ium-2-carboximidothioate Traditional Name: 1,3-diethyl-N-phenyl-imidazol-1-ium-2-carboximidothioate Formula: C14H17N3S MolecularWeight: 259.36988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C[N+](=C1C(=NC2=CC=CC=C2)[S-])CC

Isomeric SMILES

CCN1C=C[N+](=C1C(=NC2=CC=CC=C2)[S-])CC

InChI

InChI=1S/C14H17N3S/c1-3-16-10-11-17(4-2)14(16)13(18)15-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3