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

Systemtic Name: 11-(4-butylphenyl)-4-(5-methylfuran-2-yl)-8-oxidanylidene-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Openeye Name: 11-(4-butylphenyl)-4-(5-methyl-2-furyl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile CAS Name: 11-(4-butylphenyl)-10-mercapto-4-(5-methyl-2-furanyl)-8-oxo-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile IUPAC Name: 11-(4-butylphenyl)-4-(5-methylfuran-2-yl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Traditional Name: 11-(4-butylphenyl)-8-keto-10-mercapto-4-(5-methyl-2-furyl)-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C(=O)NC23CCCC(C3)C4=CC=C(O4)C)C#N)S

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C(=O)NC23CCCC(C3)C4=CC=C(O4)C)C#N)S

InChI

InChI=1S/C25H29N3O2S/c1-3-4-6-18-9-11-20(12-10-18)28-24(31)21(16-26)23(29)27-25(28)14-5-7-19(15-25)22-13-8-17(2)30-22/h8-13,19,31H,3-7,14-15H2,1-2H3,(H,27,29)