(7S)-7,11-dicyano-3-ethyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate

Systemtic Name: (7S)-7,11-dicyano-3-ethyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate Openeye Name: (7S)-7,11-dicyano-3-ethyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate CAS Name: (7S)-7,11-dicyano-3-ethyl-10-mercapto-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate IUPAC Name: (7S)-7,11-dicyano-3-ethyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate Traditional Name: (7S)-7,11-dicyano-3-ethyl-10-mercapto-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2(CC1)C(C(=NC(=C2C#N)S)[O-])C#N

Isomeric SMILES

CC[NH+]1CCC2(CC1)[C@H](C(=NC(=C2C#N)S)[O-])C#N

InChI

InChI=1S/C13H16N4OS/c1-2-17-5-3-13(4-6-17)9(7-14)11(18)16-12(19)10(13)8-15/h9,19H,2-6H2,1H3,(H,16,18)/t9-/m0/s1