(4-bromanyl-5-cyclopropyl-1,2-oxazol-3-yl)-[2-(tert-butylsulfanylmethyl)phenyl]methanone

Systemtic Name: (4-bromanyl-5-cyclopropyl-1,2-oxazol-3-yl)-[2-(tert-butylsulfanylmethyl)phenyl]methanone Openeye Name: (4-bromo-5-cyclopropyl-isoxazol-3-yl)-[2-(tert-butylsulfanylmethyl)phenyl]methanone CAS Name: (4-bromo-5-cyclopropyl-3-isoxazolyl)-[2-[(tert-butylthio)methyl]phenyl]methanone IUPAC Name: (4-bromo-5-cyclopropyl-1,2-oxazol-3-yl)-[2-(tert-butylsulfanylmethyl)phenyl]methanone Traditional Name: (4-bromo-5-cyclopropyl-isoxazol-3-yl)-[2-[(tert-butylthio)methyl]phenyl]methanone Formula: C18H20BrNO2S MolecularWeight: 394.3259

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=CC=CC=C1C(=O)C2=NOC(=C2Br)C3CC3

Isomeric SMILES

CC(C)(C)SCC1=CC=CC=C1C(=O)C2=NOC(=C2Br)C3CC3

InChI

InChI=1S/C18H20BrNO2S/c1-18(2,3)23-10-12-6-4-5-7-13(12)16(21)15-14(19)17(22-20-15)11-8-9-11/h4-7,11H,8-10H2,1-3H3