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

Systemtic Name: (7S)-7,11-dicyano-3-methyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate Openeye Name: (7S)-7,11-dicyano-3-methyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate CAS Name: (7S)-7,11-dicyano-10-mercapto-3-methyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate IUPAC Name: (7S)-7,11-dicyano-3-methyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate Traditional Name: (7S)-7,11-dicyano-10-mercapto-3-methyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4OS/c1-16-4-2-12(3-5-16)8(6-13)10(17)15-11(18)9(12)7-14/h8,18H,2-5H2,1H3,(H,15,17)/t8-/m0/s1