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

Systemtic Name: 4-(5-methylfuran-2-yl)-11-(2-methylphenyl)-8-oxidanylidene-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Openeye Name: 4-(5-methyl-2-furyl)-11-(o-tolyl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile CAS Name: 10-mercapto-4-(5-methyl-2-furanyl)-11-(2-methylphenyl)-8-oxo-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile IUPAC Name: 4-(5-methylfuran-2-yl)-11-(2-methylphenyl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Traditional Name: 8-keto-10-mercapto-4-(5-methyl-2-furyl)-11-(o-tolyl)-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=O)NC23CCCC(C3)C4=CC=C(O4)C)C#N)S

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=O)NC23CCCC(C3)C4=CC=C(O4)C)C#N)S

InChI

InChI=1S/C22H23N3O2S/c1-14-6-3-4-8-18(14)25-21(28)17(13-23)20(26)24-22(25)11-5-7-16(12-22)19-10-9-15(2)27-19/h3-4,6,8-10,16,28H,5,7,11-12H2,1-2H3,(H,24,26)