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

Systemtic Name: [4-bromanyl-2-(propan-2-ylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone Openeye Name: [4-bromo-2-(isopropylsulfanylmethyl)phenyl]-(5-cyclopropylisoxazol-3-yl)methanone CAS Name: [4-bromo-2-[(propan-2-ylthio)methyl]phenyl]-(5-cyclopropyl-3-isoxazolyl)methanone IUPAC Name: [4-bromo-2-(propan-2-ylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone Traditional Name: [4-bromo-2-[(isopropylthio)methyl]phenyl]-(5-cyclopropylisoxazol-3-yl)methanone Formula: C17H18BrNO2S MolecularWeight: 380.29932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO2S/c1-10(2)22-9-12-7-13(18)5-6-14(12)17(20)15-8-16(21-19-15)11-3-4-11/h5-8,10-11H,3-4,9H2,1-2H3