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

Systemtic Name: 4-(5-methylfuran-2-yl)-8-oxidanylidene-11-phenyl-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Openeye Name: 4-(5-methyl-2-furyl)-8-oxo-11-phenyl-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile CAS Name: 10-mercapto-4-(5-methyl-2-furanyl)-8-oxo-11-phenyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile IUPAC Name: 4-(5-methylfuran-2-yl)-8-oxo-11-phenyl-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Traditional Name: 8-keto-10-mercapto-4-(5-methyl-2-furyl)-11-phenyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2CCCC3(C2)NC(=O)C(=C(N3C4=CC=CC=C4)S)C#N

Isomeric SMILES

CC1=CC=C(O1)C2CCCC3(C2)NC(=O)C(=C(N3C4=CC=CC=C4)S)C#N

InChI

InChI=1S/C21H21N3O2S/c1-14-9-10-18(26-14)15-6-5-11-21(12-15)23-19(25)17(13-22)20(27)24(21)16-7-3-2-4-8-16/h2-4,7-10,15,27H,5-6,11-12H2,1H3,(H,23,25)