4-[4-ethyl-5-(3-phenyl-4-sulfanyl-phenyl)-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-ethyl-5-(3-phenyl-4-sulfanyl-phenyl)-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-ethyl-5-(3-phenyl-4-sulfanyl-phenyl)isoxazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-ethyl-5-(4-mercapto-3-phenylphenyl)-3-isoxazolylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-ethyl-5-(3-phenyl-4-sulfanylphenyl)-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-ethyl-5-(4-mercapto-3-phenyl-phenyl)-4-isoxazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C23H19NO2S MolecularWeight: 373.46746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(ONC1=C2C=CC(=O)C=C2)C3=CC(=C(C=C3)S)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(ONC1=C2C=CC(=O)C=C2)C3=CC(=C(C=C3)S)C4=CC=CC=C4

InChI

InChI=1S/C23H19NO2S/c1-2-19-22(16-8-11-18(25)12-9-16)24-26-23(19)17-10-13-21(27)20(14-17)15-6-4-3-5-7-15/h3-14,24,27H,2H2,1H3