10-azaniumyl-7-cyano-11-(4-phenyl-1,3-thiazol-2-yl)-9-azaspiro[5.5]undeca-7,10-diene-8-thiolate

Systemtic Name: 10-azaniumyl-7-cyano-11-(4-phenyl-1,3-thiazol-2-yl)-9-azaspiro[5.5]undeca-7,10-diene-8-thiolate Openeye Name: 10-azaniumyl-7-cyano-11-(4-phenylthiazol-2-yl)-9-azaspiro[5.5]undeca-7,10-diene-8-thiolate CAS Name: 10-ammonio-7-cyano-11-(4-phenyl-2-thiazolyl)-9-azaspiro[5.5]undeca-7,10-diene-8-thiolate IUPAC Name: 10-azaniumyl-7-cyano-11-(4-phenyl-1,3-thiazol-2-yl)-9-azaspiro[5.5]undeca-7,10-diene-8-thiolate Traditional Name: 10-ammonio-7-cyano-11-(4-phenylthiazol-2-yl)-9-azaspiro[5.5]undeca-7,10-diene-8-thiolate Formula: C20H20N4S2 MolecularWeight: 380.5296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=C(NC(=C2C3=NC(=CS3)C4=CC=CC=C4)[NH3+])[S-])C#N

Isomeric SMILES

C1CCC2(CC1)C(=C(NC(=C2C3=NC(=CS3)C4=CC=CC=C4)[NH3+])[S-])C#N

InChI

InChI=1S/C20H20N4S2/c21-11-14-18(25)24-17(22)16(20(14)9-5-2-6-10-20)19-23-15(12-26-19)13-7-3-1-4-8-13/h1,3-4,7-8,12,24-25H,2,5-6,9-10,22H2