8-azanyl-3-methyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile

Systemtic Name: 8-azanyl-3-methyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile Openeye Name: 8-amino-3-methyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile CAS Name: 8-amino-10-mercapto-3-methyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile IUPAC Name: 8-amino-3-methyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile Traditional Name: 8-amino-10-mercapto-3-methyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile Formula: C12H16N5S+ MolecularWeight: 262.35394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5S/c1-17-4-2-12(3-5-17)8(6-13)10(15)16-11(18)9(12)7-14/h8,18H,2-5H2,1H3,(H2,15,16)/p+1