11-(4-butylphenyl)-8-oxidanylidene-10-sulfanyl-7,11-diazaspiro[5.5]undeca-4,9-diene-9-carbonitrile

Systemtic Name: 11-(4-butylphenyl)-8-oxidanylidene-10-sulfanyl-7,11-diazaspiro[5.5]undeca-4,9-diene-9-carbonitrile Openeye Name: 11-(4-butylphenyl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undeca-4,9-diene-9-carbonitrile CAS Name: 11-(4-butylphenyl)-10-mercapto-8-oxo-7,11-diazaspiro[5.5]undeca-4,9-diene-9-carbonitrile IUPAC Name: 11-(4-butylphenyl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undeca-4,9-diene-9-carbonitrile Traditional Name: 11-(4-butylphenyl)-8-keto-10-mercapto-7,11-diazaspiro[5.5]undeca-4,9-diene-9-carbonitrile Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C(=O)NC23CCCC=C3)C#N)S

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C(=O)NC23CCCC=C3)C#N)S

InChI

InChI=1S/C20H23N3OS/c1-2-3-7-15-8-10-16(11-9-15)23-19(25)17(14-21)18(24)22-20(23)12-5-4-6-13-20/h5,8-12,25H,2-4,6-7,13H2,1H3,(H,22,24)