5-bromanyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]aniline

Systemtic Name: 5-bromanyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]aniline Openeye Name: 5-bromo-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]aniline CAS Name: 5-bromo-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]aniline IUPAC Name: 5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]aniline Traditional Name: [5-bromo-2-[(3,5-dimethylisoxazol-4-yl)methylthio]phenyl]amine Formula: C12H13BrN2OS MolecularWeight: 313.21342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)Br)N

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)Br)N

InChI

InChI=1S/C12H13BrN2OS/c1-7-10(8(2)16-15-7)6-17-12-4-3-9(13)5-11(12)14/h3-5H,6,14H2,1-2H3