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

Systemtic Name: 10-[(4-methylphenyl)methylsulfanyl]-8-oxidanylidene-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Openeye Name: 8-oxo-10-(p-tolylmethylsulfanyl)-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile CAS Name: 10-[(4-methylphenyl)methylthio]-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile IUPAC Name: 10-[(4-methylphenyl)methylsulfanyl]-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Traditional Name: 8-keto-10-[(4-methylbenzyl)thio]-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C3(CCCCC3)C(C(=O)N2)C#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C3(CCCCC3)C(C(=O)N2)C#N)C#N

InChI

InChI=1S/C20H21N3OS/c1-14-5-7-15(8-6-14)13-25-19-17(12-22)20(9-3-2-4-10-20)16(11-21)18(24)23-19/h5-8,16H,2-4,9-10,13H2,1H3,(H,23,24)