[4-bromanyl-2-(prop-2-enylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

Systemtic Name: [4-bromanyl-2-(prop-2-enylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone Openeye Name: [2-(allylsulfanylmethyl)-4-bromo-phenyl]-(5-cyclopropylisoxazol-4-yl)methanone CAS Name: [4-bromo-2-[(prop-2-enylthio)methyl]phenyl]-(5-cyclopropyl-4-isoxazolyl)methanone IUPAC Name: [4-bromo-2-(prop-2-enylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone Traditional Name: [2-[(allylthio)methyl]-4-bromo-phenyl]-(5-cyclopropylisoxazol-4-yl)methanone Formula: C17H16BrNO2S MolecularWeight: 378.28344

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSCC1=C(C=CC(=C1)Br)C(=O)C2=C(ON=C2)C3CC3

Isomeric SMILES

C=CCSCC1=C(C=CC(=C1)Br)C(=O)C2=C(ON=C2)C3CC3

InChI

InChI=1S/C17H16BrNO2S/c1-2-7-22-10-12-8-13(18)5-6-14(12)16(20)15-9-19-21-17(15)11-3-4-11/h2,5-6,8-9,11H,1,3-4,7,10H2