10-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-8-oxidanylidene-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile

Systemtic Name: 10-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-8-oxidanylidene-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Openeye Name: 8-oxo-10-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile CAS Name: 10-[[2-(4-methylphenyl)-2-oxoethyl]thio]-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile IUPAC Name: 10-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Traditional Name: 8-keto-10-[[2-keto-2-(p-tolyl)ethyl]thio]-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-14-5-7-15(8-6-14)18(25)13-27-20-17(12-23)21(9-3-2-4-10-21)16(11-22)19(26)24-20/h5-8,16H,2-4,9-10,13H2,1H3,(H,24,26)