11-(2-methylphenyl)-8-oxidanylidene-10-sulfanyl-7,11-diazaspiro[5.5]undeca-4,9-diene-9-carbonitrile

Systemtic Name: 11-(2-methylphenyl)-8-oxidanylidene-10-sulfanyl-7,11-diazaspiro[5.5]undeca-4,9-diene-9-carbonitrile Openeye Name: 11-(o-tolyl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undeca-4,9-diene-9-carbonitrile CAS Name: 10-mercapto-11-(2-methylphenyl)-8-oxo-7,11-diazaspiro[5.5]undeca-4,9-diene-9-carbonitrile IUPAC Name: 11-(2-methylphenyl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undeca-4,9-diene-9-carbonitrile Traditional Name: 8-keto-10-mercapto-11-(o-tolyl)-7,11-diazaspiro[5.5]undeca-4,9-diene-9-carbonitrile Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=O)NC23CCCC=C3)C#N)S

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=O)NC23CCCC=C3)C#N)S

InChI

InChI=1S/C17H17N3OS/c1-12-7-3-4-8-14(12)20-16(22)13(11-18)15(21)19-17(20)9-5-2-6-10-17/h3-5,7-9,22H,2,6,10H2,1H3,(H,19,21)