10-azanyl-11-cyano-8-[(4-cyanophenyl)methylsulfanyl]-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide

Systemtic Name: 10-azanyl-11-cyano-8-[(4-cyanophenyl)methylsulfanyl]-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Openeye Name: 10-amino-11-cyano-8-[(4-cyanophenyl)methylsulfanyl]-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide CAS Name: 10-amino-11-cyano-8-[(4-cyanophenyl)methylthio]-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide IUPAC Name: 10-amino-11-cyano-8-[(4-cyanophenyl)methylsulfanyl]-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Traditional Name: 10-amino-11-cyano-8-[(4-cyanobenzyl)thio]-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS/c21-10-13-4-6-14(7-5-13)12-27-19-16(18(24)26)20(8-2-1-3-9-20)15(11-22)17(23)25-19/h4-7,16H,1-3,8-9,12,23H2,(H2,24,26)