7-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-10-methylsulfanyl-8-oxidanylidene-9-azaspiro[5.5]undec-10-ene-11-carbonitrile

Systemtic Name: 7-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-10-methylsulfanyl-8-oxidanylidene-9-azaspiro[5.5]undec-10-ene-11-carbonitrile Openeye Name: 10-methylsulfanyl-8-oxo-7-[4-(p-tolyl)thiazol-2-yl]-9-azaspiro[5.5]undec-10-ene-11-carbonitrile CAS Name: 7-[4-(4-methylphenyl)-2-thiazolyl]-10-(methylthio)-8-oxo-9-azaspiro[5.5]undec-10-ene-11-carbonitrile IUPAC Name: 7-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-10-methylsulfanyl-8-oxo-9-azaspiro[5.5]undec-10-ene-11-carbonitrile Traditional Name: 8-keto-10-(methylthio)-7-[4-(p-tolyl)thiazol-2-yl]-9-azaspiro[5.5]undec-10-ene-11-carbonitrile Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)C3C(=O)NC(=C(C34CCCCC4)C#N)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)C3C(=O)NC(=C(C34CCCCC4)C#N)SC

InChI

InChI=1S/C22H23N3OS2/c1-14-6-8-15(9-7-14)17-13-28-21(24-17)18-19(26)25-20(27-2)16(12-23)22(18)10-4-3-5-11-22/h6-9,13,18H,3-5,10-11H2,1-2H3,(H,25,26)