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

Systemtic Name: 4-[4-ethyl-5-(3-methyl-4-sulfanyl-phenyl)-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-ethyl-5-(3-methyl-4-sulfanyl-phenyl)isoxazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-ethyl-5-(4-mercapto-3-methylphenyl)-3-isoxazolylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-ethyl-5-(3-methyl-4-sulfanylphenyl)-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-ethyl-5-(4-mercapto-3-methyl-phenyl)-4-isoxazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO2S/c1-3-15-17(12-4-7-14(20)8-5-12)19-21-18(15)13-6-9-16(22)11(2)10-13/h4-10,19,22H,3H2,1-2H3