8-oxidanylidene-10-phenacylsulfanyl-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile

Systemtic Name: 8-oxidanylidene-10-phenacylsulfanyl-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Openeye Name: 8-oxo-10-phenacylsulfanyl-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile CAS Name: 8-oxo-10-(phenacylthio)-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile IUPAC Name: 8-oxo-10-phenacylsulfanyl-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Traditional Name: 8-keto-10-(phenacylthio)-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O2S/c21-11-15-18(25)23-19(16(12-22)20(15)9-5-2-6-10-20)26-13-17(24)14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-10,13H2,(H,23,25)