10-[(4-cyanophenyl)methylsulfanyl]-8-oxidanylidene-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile

Systemtic Name: 10-[(4-cyanophenyl)methylsulfanyl]-8-oxidanylidene-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Openeye Name: 10-[(4-cyanophenyl)methylsulfanyl]-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile CAS Name: 10-[(4-cyanophenyl)methylthio]-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile IUPAC Name: 10-[(4-cyanophenyl)methylsulfanyl]-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Traditional Name: 10-[(4-cyanobenzyl)thio]-8-keto-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C20H18N4OS/c21-10-14-4-6-15(7-5-14)13-26-19-17(12-23)20(8-2-1-3-9-20)16(11-22)18(25)24-19/h4-7,16H,1-3,8-9,13H2,(H,24,25)