8-azanyl-10-phenacylsulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile

Systemtic Name: 8-azanyl-10-phenacylsulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Openeye Name: 8-amino-10-phenacylsulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile CAS Name: 8-amino-10-(phenacylthio)-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile IUPAC Name: 8-amino-10-phenacylsulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Traditional Name: 8-amino-10-(phenacylthio)-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Formula: C20H20N4OS MolecularWeight: 364.464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=C(NC(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N

Isomeric SMILES

C1CCC2(CC1)C(=C(NC(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N

InChI

InChI=1S/C20H20N4OS/c21-11-15-18(23)24-19(16(12-22)20(15)9-5-2-6-10-20)26-13-17(25)14-7-3-1-4-8-14/h1,3-4,7-8,24H,2,5-6,9-10,13,23H2