10-azaniumyl-7-cyano-11-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-9-azaspiro[5.5]undeca-7,10-diene-8-thiolate

Systemtic Name: 10-azaniumyl-7-cyano-11-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-9-azaspiro[5.5]undeca-7,10-diene-8-thiolate Openeye Name: 10-azaniumyl-7-cyano-11-[4-(p-tolyl)thiazol-2-yl]-9-azaspiro[5.5]undeca-7,10-diene-8-thiolate CAS Name: 10-ammonio-7-cyano-11-[4-(4-methylphenyl)-2-thiazolyl]-9-azaspiro[5.5]undeca-7,10-diene-8-thiolate IUPAC Name: 10-azaniumyl-7-cyano-11-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-9-azaspiro[5.5]undeca-7,10-diene-8-thiolate Traditional Name: 10-ammonio-7-cyano-11-[4-(p-tolyl)thiazol-2-yl]-9-azaspiro[5.5]undeca-7,10-diene-8-thiolate Formula: C21H22N4S2 MolecularWeight: 394.55618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)C3=C(NC(=C(C34CCCCC4)C#N)[S-])[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)C3=C(NC(=C(C34CCCCC4)C#N)[S-])[NH3+]

InChI

InChI=1S/C21H22N4S2/c1-13-5-7-14(8-6-13)16-12-27-20(24-16)17-18(23)25-19(26)15(11-22)21(17)9-3-2-4-10-21/h5-8,12,25-26H,2-4,9-10,23H2,1H3