5-(2-ethylsulfanylpropyl)-2-(1-phenylazanylbutylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(2-ethylsulfanylpropyl)-2-(1-phenylazanylbutylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-anilinobutylidene)-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione CAS Name: 2-(1-anilinobutylidene)-5-[2-(ethylthio)propyl]cyclohexane-1,3-dione IUPAC Name: 2-(1-anilinobutylidene)-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione Traditional Name: 2-(1-anilinobutylidene)-5-[2-(ethylthio)propyl]cyclohexane-1,3-quinone Formula: C21H29NO2S MolecularWeight: 359.52546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)CC(C)SCC)NC2=CC=CC=C2

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)CC(C)SCC)NC2=CC=CC=C2

InChI

InChI=1S/C21H29NO2S/c1-4-9-18(22-17-10-7-6-8-11-17)21-19(23)13-16(14-20(21)24)12-15(3)25-5-2/h6-8,10-11,15-16,22H,4-5,9,12-14H2,1-3H3