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

Systemtic Name: [4-bromanyl-2-(tert-butylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone Openeye Name: [4-bromo-2-(tert-butylsulfanylmethyl)phenyl]-(5-cyclopropylisoxazol-4-yl)methanone CAS Name: [4-bromo-2-[(tert-butylthio)methyl]phenyl]-(5-cyclopropyl-4-isoxazolyl)methanone IUPAC Name: [4-bromo-2-(tert-butylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone Traditional Name: [4-bromo-2-[(tert-butylthio)methyl]phenyl]-(5-cyclopropylisoxazol-4-yl)methanone Formula: C18H20BrNO2S MolecularWeight: 394.3259

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=C(C=CC(=C1)Br)C(=O)C2=C(ON=C2)C3CC3

Isomeric SMILES

CC(C)(C)SCC1=C(C=CC(=C1)Br)C(=O)C2=C(ON=C2)C3CC3

InChI

InChI=1S/C18H20BrNO2S/c1-18(2,3)23-10-12-8-13(19)6-7-14(12)16(21)15-9-20-22-17(15)11-4-5-11/h6-9,11H,4-5,10H2,1-3H3