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

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

CCC1=CC=CC=C1N2C(=C(C(=O)NC23CCCC(C3)C4=CC=C(O4)C)C#N)S

Isomeric SMILES

CCC1=CC=CC=C1N2C(=C(C(=O)NC23CCCC(C3)C4=CC=C(O4)C)C#N)S

InChI

InChI=1S/C23H25N3O2S/c1-3-16-7-4-5-9-19(16)26-22(29)18(14-24)21(27)25-23(26)12-6-8-17(13-23)20-11-10-15(2)28-20/h4-5,7,9-11,17,29H,3,6,8,12-13H2,1-2H3,(H,25,27)