2-[(7-azanyl-6,10-dicyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(7-azanyl-6,10-dicyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)sulfanyl]ethanoate Openeye Name: 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)sulfanyl]acetate CAS Name: 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)thio]acetate IUPAC Name: 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)sulfanyl]acetate Traditional Name: 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)thio]acetate Formula: C13H13N4O2S- MolecularWeight: 289.33292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(C(=NC(=C2C#N)SCC(=O)[O-])N)C#N

Isomeric SMILES

C1CCC2(C1)C(C(=NC(=C2C#N)SCC(=O)[O-])N)C#N

InChI

InChI=1S/C13H14N4O2S/c14-5-8-11(16)17-12(20-7-10(18)19)9(6-15)13(8)3-1-2-4-13/h8H,1-4,7H2,(H2,16,17)(H,18,19)/p-1