8-azanyl-7-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-10-sulfanyl-9-azaspiro[5.5]undeca-8,10-diene-11-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h5-8,12,17,26H,2-4,9-10H2,1H3,(H2,23,25)