11-(2,5-dimethylphenyl)-8-oxidanylidene-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile

Systemtic Name: 11-(2,5-dimethylphenyl)-8-oxidanylidene-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Openeye Name: 11-(2,5-dimethylphenyl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile CAS Name: 11-(2,5-dimethylphenyl)-10-mercapto-8-oxo-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile IUPAC Name: 11-(2,5-dimethylphenyl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Traditional Name: 11-(2,5-dimethylphenyl)-8-keto-10-mercapto-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=C(C(=O)NC23CCCCC3)C#N)S

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=C(C(=O)NC23CCCCC3)C#N)S

InChI

InChI=1S/C18H21N3OS/c1-12-6-7-13(2)15(10-12)21-17(23)14(11-19)16(22)20-18(21)8-4-3-5-9-18/h6-7,10,23H,3-5,8-9H2,1-2H3,(H,20,22)