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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCC2(CC1)C(C(=NC(=C2C(=O)N)SCC3=CC=C(C=C3)C#N)N)C#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/h4-7,15H,1-3,8-9,12H2,(H2,23,25)(H2,24,26)