11-(3-methylphenyl)-8-oxidanylidene-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile

Systemtic Name: 11-(3-methylphenyl)-8-oxidanylidene-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Openeye Name: 11-(m-tolyl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile CAS Name: 10-mercapto-11-(3-methylphenyl)-8-oxo-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile IUPAC Name: 11-(3-methylphenyl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Traditional Name: 8-keto-10-mercapto-11-(m-tolyl)-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3OS/c1-12-6-5-7-13(10-12)20-16(22)14(11-18)15(21)19-17(20)8-3-2-4-9-17/h5-7,10,22H,2-4,8-9H2,1H3,(H,19,21)