11-(2,5-dimethylphenyl)-4-(5-methylfuran-2-yl)-8-oxidanylidene-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile

Systemtic Name: 11-(2,5-dimethylphenyl)-4-(5-methylfuran-2-yl)-8-oxidanylidene-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Openeye Name: 11-(2,5-dimethylphenyl)-4-(5-methyl-2-furyl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile CAS Name: 11-(2,5-dimethylphenyl)-10-mercapto-4-(5-methyl-2-furanyl)-8-oxo-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile IUPAC Name: 11-(2,5-dimethylphenyl)-4-(5-methylfuran-2-yl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Traditional Name: 11-(2,5-dimethylphenyl)-8-keto-10-mercapto-4-(5-methyl-2-furyl)-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=C(C(=O)NC23CCCC(C3)C4=CC=C(O4)C)C#N)S

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=C(C(=O)NC23CCCC(C3)C4=CC=C(O4)C)C#N)S

InChI

InChI=1S/C23H25N3O2S/c1-14-6-7-15(2)19(11-14)26-22(29)18(13-24)21(27)25-23(26)10-4-5-17(12-23)20-9-8-16(3)28-20/h6-9,11,17,29H,4-5,10,12H2,1-3H3,(H,25,27)