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

Systemtic Name: [4-bromanyl-2-(phenylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone Openeye Name: [4-bromo-2-(phenylsulfanylmethyl)phenyl]-(5-cyclopropylisoxazol-4-yl)methanone CAS Name: [4-bromo-2-[(phenylthio)methyl]phenyl]-(5-cyclopropyl-4-isoxazolyl)methanone IUPAC Name: [4-bromo-2-(phenylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone Traditional Name: [4-bromo-2-[(phenylthio)methyl]phenyl]-(5-cyclopropylisoxazol-4-yl)methanone Formula: C20H16BrNO2S MolecularWeight: 414.31554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NO2)C(=O)C3=C(C=C(C=C3)Br)CSC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=C(C=NO2)C(=O)C3=C(C=C(C=C3)Br)CSC4=CC=CC=C4

InChI

InChI=1S/C20H16BrNO2S/c21-15-8-9-17(14(10-15)12-25-16-4-2-1-3-5-16)19(23)18-11-22-24-20(18)13-6-7-13/h1-5,8-11,13H,6-7,12H2