5-azanyl-2,4-dicyano-3-methyl-6-(thiolan-1-ium-1-yl)phenolate

Systemtic Name: 5-azanyl-2,4-dicyano-3-methyl-6-(thiolan-1-ium-1-yl)phenolate Openeye Name: 5-amino-2,4-dicyano-3-methyl-6-tetrahydrothiophen-1-ium-1-yl-phenolate CAS Name: 5-amino-2,4-dicyano-3-methyl-6-(1-thiolan-1-iumyl)phenolate IUPAC Name: 5-amino-2,4-dicyano-3-methyl-6-(thiolan-1-ium-1-yl)phenolate Traditional Name: 5-amino-2,4-dicyano-3-methyl-6-tetrahydrothiophen-1-ium-1-yl-phenolate Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C#N)[O-])[S+]2CCCC2)N)C#N

Isomeric SMILES

CC1=C(C(=C(C(=C1C#N)[O-])[S+]2CCCC2)N)C#N

InChI

InChI=1S/C13H13N3OS/c1-8-9(6-14)11(16)13(12(17)10(8)7-15)18-4-2-3-5-18/h2-5,16H2,1H3