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

Systemtic Name: (4E)-4-[4-ethyl-3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-ylidene]-3-sulfanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[4-ethyl-3-(4-hydroxyphenyl)-2H-isoxazol-5-ylidene]-3-sulfanyl-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[4-ethyl-3-(4-hydroxyphenyl)-2H-isoxazol-5-ylidene]-3-mercapto-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[4-ethyl-3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-ylidene]-3-sulfanylcyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[4-ethyl-3-(4-hydroxyphenyl)-3-isoxazolin-5-ylidene]-3-mercapto-cyclohexa-2,5-dien-1-one Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NOC1=C2C=CC(=O)C=C2S)C3=CC=C(C=C3)O

Isomeric SMILES

CCC\1=C(NO/C1=C/2\C=CC(=O)C=C2S)C3=CC=C(C=C3)O

InChI

InChI=1S/C17H15NO3S/c1-2-13-16(10-3-5-11(19)6-4-10)18-21-17(13)14-8-7-12(20)9-15(14)22/h3-9,18-19,22H,2H2,1H3/b17-14+