2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-methylsulfanylphenyl)methylidene]-1,3-oxazol-5-one

Systemtic Name: 2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-methylsulfanylphenyl)methylidene]-1,3-oxazol-5-one Openeye Name: 2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-methylsulfanylphenyl)methylene]oxazol-5-one CAS Name: 2-[4-(4-ethylcyclohexyl)phenyl]-4-[[4-(methylthio)phenyl]methylidene]-5-oxazolone IUPAC Name: 2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-methylsulfanylphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: 2-[4-(4-ethylcyclohexyl)phenyl]-4-[4-(methylthio)benzylidene]-2-oxazolin-5-one Formula: C25H27NO2S MolecularWeight: 405.55238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)C2=CC=C(C=C2)C3=NC(=CC4=CC=C(C=C4)SC)C(=O)O3

Isomeric SMILES

CCC1CCC(CC1)C2=CC=C(C=C2)C3=NC(=CC4=CC=C(C=C4)SC)C(=O)O3

InChI

InChI=1S/C25H27NO2S/c1-3-17-4-8-19(9-5-17)20-10-12-21(13-11-20)24-26-23(25(27)28-24)16-18-6-14-22(29-2)15-7-18/h6-7,10-17,19H,3-5,8-9H2,1-2H3