8-azanyl-7,11-dicyano-3-(phenylmethyl)-9-aza-3-azoniaspiro[5.5]undeca-7,10-diene-10-thiolate

Systemtic Name: 8-azanyl-7,11-dicyano-3-(phenylmethyl)-9-aza-3-azoniaspiro[5.5]undeca-7,10-diene-10-thiolate Openeye Name: 8-amino-3-benzyl-7,11-dicyano-9-aza-3-azoniaspiro[5.5]undeca-7,10-diene-10-thiolate CAS Name: 8-amino-7,11-dicyano-3-(phenylmethyl)-9-aza-3-azoniaspiro[5.5]undeca-7,10-diene-10-thiolate IUPAC Name: 8-amino-3-benzyl-7,11-dicyano-9-aza-3-azoniaspiro[5.5]undeca-7,10-diene-10-thiolate Traditional Name: 8-amino-3-benzyl-7,11-dicyano-9-aza-3-azoniaspiro[5.5]undeca-7,10-diene-10-thiolate Formula: C18H19N5S MolecularWeight: 337.44196

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC12C(=C(NC(=C2C#N)[S-])N)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC12C(=C(NC(=C2C#N)[S-])N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C18H19N5S/c19-10-14-16(21)22-17(24)15(11-20)18(14)6-8-23(9-7-18)12-13-4-2-1-3-5-13/h1-5,22,24H,6-9,12,21H2