9-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-7-oxidanylidene-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile

Systemtic Name: 9-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-7-oxidanylidene-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile Openeye Name: 7-oxo-9-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile CAS Name: 9-[[2-(4-methylphenyl)-2-oxoethyl]thio]-7-oxo-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile IUPAC Name: 9-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile Traditional Name: 7-keto-9-[[2-keto-2-(p-tolyl)ethyl]thio]-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile Formula: C20H19N3O2S MolecularWeight: 365.44876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=C(C3(CCCC3)C(C(=O)N2)C#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=C(C3(CCCC3)C(C(=O)N2)C#N)C#N

InChI

InChI=1S/C20H19N3O2S/c1-13-4-6-14(7-5-13)17(24)12-26-19-16(11-22)20(8-2-3-9-20)15(10-21)18(25)23-19/h4-7,15H,2-3,8-9,12H2,1H3,(H,23,25)